SCHEMBL5855095

SCHEMBL5855095

NCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.53
TYRO3 Q06418 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
NISCH Q9Y2I1 2/20 0.48
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
DPP4 P27487 3/20 0.46
ADRA1A P35348 1/20 0.43
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP6 P55212 1/20 0.39
ADRA2A P08913 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MC4R P32245 2/20 0.36
HTR1A P08908 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
Hydrochloric Acid SCHEMBL27626087 0.98 CSNK1A1 (0.51) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8541248 0.82 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL17304239 0.82 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL4351978 0.82 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9665277 0.82 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL8537574 0.81 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL9287236 0.80 NISCH (0.64) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL29214244 0.79 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6951802 0.79 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL6538599 0.79 TAAR1 (0.54) CSNK1A1TYRO3DYRK1BNISCHMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699771-A Cryptotanshinone compound, as well as preparation method and application thereof 常州大学 2017-05-24 CN disclosed
CN-101253144-B Process for preparing aniline SYNGENTA PARTICIPATIONS AG 2011-11-23 CN disclosed
CN-100441585-C Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS (DE) 2008-12-10 CN disclosed
CN-101253144-A Process for preparing aniline SYNGENTA PARTICIPATIONS AG (CH) 2008-08-27 CN disclosed
CN-100343263-C Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS (DE) 2007-10-17 CN disclosed
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
CN-1276960-C Method of improving performance of refrigerant systems COGNIS CORP (US) 2006-09-27 CN disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
CN-1678617-A Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS (DE) 2005-10-05 CN disclosed
CN-1500093-A Rhodium and iridium complexes �����л��뵼�����޹�˾ 2004-05-26 CN disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
CN-1354776-A Method for improving performance of refrigeration system COGNIS CORP (US) 2002-06-19 CN disclosed
EP-0194746-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-09-17 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 (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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 CSNK1A1 2247/4885TYRO3 478/4885DYRK1B 4173/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI CSNK1A1 3419/4885TYRO3 1469/4885DYRK1B 4309/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 CSNK1A1 1986/4885TYRO3 2426/4885DYRK1B 4814/4885

“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.