SCHEMBL4551952

SCHEMBL4551952

CCCCCc1nc[nH]c1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL2661126 0.77 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9243660 0.74 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Dipyridyl SCHEMBL28135789 0.73 KDM4E (0.64) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5327985 0.72 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11786505 0.71 METAP2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1082873 0.71 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3803910 0.71 TP53 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18107153 0.70 TLR8 (0.41) CYP1A2KDM4ELMNA
SCHEMBL8619864 0.70 PDPK1 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27883130 0.70 TP53 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098536-A1 Method for subgroup analysis in subjects having or being suspected of having inflammatory disease, use of anti-p38MAPK antibodies, kits and their use C-A-I-R- BIOSCIENCES GMBH (DE) 2009-04-16 US disclosed
EP-1909102-A1 Method for subgroup analysis in subjects having or being suspected of having inflammatory disease, use of anti-p38mapk antibodies, kits and their use c-a-i-r biosciences GmbH (DE) 2008-04-09 EP disclosed
US-7041686-B2 Substituted imidazoles useful in the treatment of inflammatory diseases ORTHO MCNEIL PHARMACEUTICAL, CORP. 2006-05-09 US disclosed
CN-1211381-C Substituted imidazoles useful in treatment of inflammatory diseases ORTHO MCNEIL CORP INC (US) 2005-07-20 CN disclosed
EP-1337526-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2005-06-08 EP disclosed
US-20040214816-A1 Substituted imidazoles useful in the treatment of inflammatory diseases ORTHO MCNEIL PHARMACEUTICAL, CORP. 2004-10-28 US disclosed
EP-1060181-B1 SUBSTITUTED PYRROLOBENZIMIDAZOLES FOR TREATING INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2004-05-06 EP disclosed
EP-1337526-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-08-27 EP disclosed
EP-1028954-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2003-07-02 EP disclosed
EP-1178981-B1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO MCNEIL PHARM INC (US) 2003-06-25 EP disclosed
EP-1028954-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-23 EP disclosed
CN-1253558-A Substituted imidazoles useful in treatment of inflammatory diseases ORTHO MCNEIL CORP INC (US) 2000-05-17 CN disclosed
EP-0994858-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-04-26 EP disclosed
US-6040320-A ANTIINFLAMMATORY AGENT FOR TREATING DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES, SUCH AS RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, SEPTIC SHOCK, OSTEOPOROSIS, AND OSTEOARTHRITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-21 US disclosed
WO-1999058128-A1 INHIBITION OF PROTEIN KINASES WITH PIRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 1999-11-18 WO disclosed
US-5965583-A ANTIINFLAMMATORY AGENTS IN THE TREATMENT OF DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-12 US disclosed
WO-1999043680-A1 SUBSTITUTED PYRROLOBENZIMIDAZOLES FOR TREATING INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-09-02 WO disclosed
WO-1999003837-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-01-28 WO disclosed
WO-1998047899-A1 SUBSTITUTED PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO disclosed
WO-1998047892-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 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 (1 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-20040214816-A1 Substituted imidazoles useful in the treatment of inflammatory diseases IL1B, IL1A, TNF CYP1A2 85/4885CYP2D6 235/4885CYP19A1 562/4885

“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.