SCHEMBL3044331

SCHEMBL3044331

Nc1cccc(Cc2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
PARP1 P09874 2/20 0.42
CYP19A1 P11511 2/20 0.41
MAPT P10636 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 2/20 0.35
CASP1 P29466 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
Hydrochloric Acid SCHEMBL9573531 0.98 MAOB (0.43) MAOBMAOAPARP1CYP19A1MAPT
SCHEMBL9872869 0.85 MAOA (0.53) MAOBMAOAPARP1CYP19A1MAPT
SCHEMBL12986955 0.83 PNMT (0.39) SMN1; SMN2CYP3A4
SCHEMBL9911071 0.81 DAO (0.43) KDM4ETDP1CYP11B1CYP11B2
SCHEMBL31422502 0.80 HCAR2 (0.44) MAOBPARP1SMN1; SMN2TDP1CYP11B1
SCHEMBL10965025 0.80 TSHR (0.34)
SCHEMBL4573094 0.79 CYP3A4 (0.48) MAOBMAOACYP19A1MAPTLMNA
SCHEMBL232998 0.78 NR1H2 (0.46) RAB9AGAA
SCHEMBL12017406 0.78 PARP1 (0.34) PARP1MAPTRAB9ARECQL
SCHEMBL31422574 0.78 DAO (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US disclosed
US-20090298899-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED 2009-12-03 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
EP-0508796-B1 Cholecystokinin antagonists MERCK & CO INC (US) 1998-07-08 EP disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5563136-A ADMINISTERING FOR GASTROINTESTINAL OR NERVOUS SYSTEM DISORDERS CONNECTED WITH CHOLECYSTOKININ AND GASTRIN RHONE-POULENC RORER S.A. (FR) 1996-10-08 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
US-5220018-A Benzodiazepine derivatives MERCK & CO., INC. (US) 1993-06-15 US disclosed
EP-0508796-A1 Cholecystokinin antagonists MERCK & CO. INC. (US) 1992-10-14 EP disclosed
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 MAOB 3325/4885MAOA 3232/4885PARP1 3508/4885
US-20090298899-A1 EP2 RECEPTOR AGONISTS PTGER2, PTGER1, TBXA2R MAOB 2969/4885MAOA 2900/4885PARP1 1427/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R MAOB 2969/4885MAOA 2900/4885PARP1 1427/4885

“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.