SCHEMBL6799201

SCHEMBL6799201

CN(Cc1ccccc1)c1sc(-c2ccncc2)c2c1C(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
ROCK1 Q13464 2/20 0.36
ROCK2 O75116 1/20 0.36
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK10 P53779 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6799619 0.78 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9A
SCHEMBL6799224 0.73 MAPT (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6802702 0.68 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6805893 0.67 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6805294 0.66 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6804628 0.66 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7849567 0.65 ACKR3 (0.45) ROCK1ROCK2ACKR3KDM4EALDH1A1
SCHEMBL6803879 0.64 KIF11 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11331200 0.64 MAPT (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6809616 0.64 ACKR3 (0.44) ROCK1ROCK2ACKR3KDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US claimed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US claimed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP claimed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP claimed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP 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 (2 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR GABRA1 597/4885GABRG2 863/4885GABRB3 485/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 GABRA1 602/4885GABRG2 927/4885GABRB3 559/4885

“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.