Sugi Predict

Sugi Predict / Compounds / SCHEMBL676377

SCHEMBL676377

SCHEMBL676377

[CH2]c1ccc(-n2cncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ FBP1 P09467 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK10 P53779 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ DPP4 P27487 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL6869977 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1620488 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL5535834 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL9363173 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL82347 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL5663652 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL14321150 0.78 KDM4E (0.70) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL10508046 0.77 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1009561 0.77 CYP2A6 (0.64) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3147154 0.76 CYP2A6 (0.53) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 — — CN claimed
WO-2018009539-A1 INHIBITORS OF HEXOKINASE AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2018-01-11 — — WO disclosed
WO-2016196890-A1 INHIBITORS OF HEXOKINASE AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2016-12-08 — — WO disclosed
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 — — US disclosed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 — — CN disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 — — US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 — — US disclosed
EP-2367430-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2014-08-13 — — EP disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 — — CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 — — CN disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 — — EP disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 — — US disclosed
CN-1543472-A 6-o-carbamoyl ketolide antibacterials ����-������ҩƷ��˾ 2004-11-03 — — CN disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 — — WO disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 — — WO disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 — — US disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 — — US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 — — US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 — — 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 (3 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 SMN1; SMN2 4073/4885KDM4E 18/4885ALDH1A1 2109/4885
US-20150119370-A1 Organic Compounds CYP2C19, CYP2C9, CYP3A43 SMN1; SMN2 2833/4885KDM4E 3144/4885ALDH1A1 120/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E SMN1; SMN2 4281/4885KDM4E 3/4885ALDH1A1 3629/4885

“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.