SCHEMBL219142

SCHEMBL219142

CC(C)(O)C(C)(C)OB(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 6/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
ERN1 O75460 1/20 0.40
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL670907 0.89 UBE2T (0.43) ALDH1A1KDM4EMAPTLMNACNR2
SCHEMBL427484 0.88 UBE2T (0.42) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL596087 0.86 HTR3A (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2RET
SCHEMBL585940 0.85 RET (0.39) RET
SCHEMBL114540 0.84 POLB (0.43) ALDH1A1HSD17B10KDM4ELMNAKMT2A
SCHEMBL18393476 0.83 KDM4E (0.42) HPGDKDM4EGAASMN1; SMN2RET
SCHEMBL28629103 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL452425 0.82 PIK3CA (0.45) CYP2C19
SCHEMBL1236482 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL16278190 0.80 DDB1 (0.49) RET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
US-12042498-B2 Compound useful for the treatment of degenerative and inflammatory diseases ALFASIGMA S.P.A. (IT) 2024-07-23 US disclosed
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
WO-2023020512-A1 SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR 成都奥睿药业有限公司 2023-02-23 WO disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 US disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-01-27 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 WO disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA ALDH1A1 902/4885HSD17B10 1756/4885HPGD 3196/4885
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 ALDH1A1 186/4885HSD17B10 47/4885HPGD 2466/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 ALDH1A1 120/4885HSD17B10 714/4885HPGD 3838/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 ALDH1A1 120/4885HSD17B10 714/4885HPGD 3838/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 ALDH1A1 120/4885HSD17B10 714/4885HPGD 3838/4885
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, HDLBP, VAPA ALDH1A1 902/4885HSD17B10 1756/4885HPGD 3196/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET ALDH1A1 251/4885HSD17B10 4134/4885HPGD 4726/4885
US-12042498-B2 Compound useful for the treatment of degenerative and inflammatory diseases IL6, JAK1, BMP6 ALDH1A1 1465/4885HSD17B10 3073/4885HPGD 1286/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 ALDH1A1 187/4885HSD17B10 272/4885HPGD 483/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.