SCHEMBL4416698

SCHEMBL4416698

NCc1ccc2cnc(N)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ CSNK1D P48730 1/20 0.45
▸ CSNK1E P49674 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ ROCK1 Q13464 2/20 0.42
▸ TEK Q02763 3/20 0.37
▸ EPHB4 P54760 1/20 0.37

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
SCHEMBL4419580 0.85 LCK (0.46) CSNK1DCSNK1ECLK1DYRK1AROCK1
SCHEMBL24506812 0.84 DHFR (0.45) NOS1NOS2CSNK1DCSNK1ECLK1
SCHEMBL22521442 0.80 CSNK1D (0.41) CSNK1DCSNK1ECLK1DYRK1ATEK
SCHEMBL22521514 0.80 CSNK1D (0.41) NOS1NOS2CSNK1DCSNK1ECLK1
SCHEMBL24150165 0.76 HTT (0.58) CSNK1DCSNK1ECLK1DYRK1ATEK
SCHEMBL27795596 0.76 HRH3 (0.50) NOS1NOS2ROCK1
SCHEMBL22511690 0.75 NOS1 (0.65) NOS1NOS2
SCHEMBL27474117 0.74 EGFR (0.59) NOS1NOS2ROCK1
SCHEMBL22449721 0.73 CYP1A2 (0.50) CSNK1DCSNK1ECLK1DYRK1A
SCHEMBL25052261 0.73 CLK1 (0.47) CSNK1DCSNK1ECLK1DYRK1ATEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 — — US disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 — — US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 — — US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 — — EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 — — EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 — — US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 — — WO disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 — — EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 — — 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 (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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 NOS1 1013/4885NOS2 1243/4885CSNK1D 1446/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 NOS1 561/4885NOS2 764/4885CSNK1D 1229/4885

“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.

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