SCHEMBL2995033

SCHEMBL2995033

O=C(O)c1cc2cncnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.46
TSHR P16473 2/20 0.43
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
SRD5A2 P31213 1/20 0.41
GPR35 Q9HC97 1/20 0.41
NFKB1 P19838 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMAD3 P84022 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
PIN1 Q13526 2/20 0.38
CYP2C19 P33261 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL29850702 1.00 DAO (0.46) DAOTSHRHPGDHSD17B10KDM4E
Dimethylformamide SCHEMBL27861446 0.88 DAO (0.38) DAOTSHRHPGDHSD17B10KDM4E
Dimethylformamide SCHEMBL27905980 0.87 DAO (0.37) DAOTSHRHPGDHSD17B10KDM4E
SCHEMBL14311952 0.86 BACE1 (0.39) TSHRBACE1
SCHEMBL29519596 0.86 BACE1 (0.39) TSHRBACE1
Hydrochloric Acid SCHEMBL30991388 0.84 BACE1 (0.39) TSHRBACE1
SCHEMBL27889357 0.84 DAO (0.35) DAOTSHRHPGDHSD17B10KDM4E
SCHEMBL18969568 0.81 ABL1 (0.47)
SCHEMBL28021323 0.81 NUDT1 (0.46) ALOX15BACE1
SCHEMBL7575282 0.81 MAP2K1 (0.48) TSHRALOX15ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384741-B A kind of salt and preparation method thereof of cyclin dependant kinase inhibitors 诺华有限公司 2019-11-19 CN claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
CN-105384741-B A kind of salt and preparation method thereof of cyclin dependant kinase inhibitors 诺华有限公司 2019-11-19 CN disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US 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 (4 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP DAO 3571/4885TSHR 3283/4885HPGD 3161/4885
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 DAO 160/4885TSHR 4275/4885HPGD 85/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 DAO 1097/4885TSHR 3577/4885HPGD 262/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C DAO 440/4885TSHR 3124/4885HPGD 224/4885

“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.