SCHEMBL2119085

SCHEMBL2119085

C=CC(=O)Nc1cccc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.55
BIRC2 Q13490 1/20 0.55
BTK Q06187 2/20 0.47
ITK Q08881 2/20 0.47
TEK Q02763 9/20 0.46
EPHB4 P54760 9/20 0.46
KDR P35968 6/20 0.46
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GSTO1 P78417 1/20 0.43

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
SCHEMBL174072 0.87 TGM2 (0.53) BTKITKTEKEPHB4KDR
SCHEMBL1812917 0.80 XIAP (0.56) XIAPBIRC2ALDH1A1KDM4EMAPT
SCHEMBL31357334 0.79 CHRNB2 (0.52) BTKITKTEKEPHB4KDR
SCHEMBL9952792 0.79 CHRNB2 (0.52) BTKITKTEKEPHB4KDR
SCHEMBL16765858 0.79 XIAP (0.41) XIAPBIRC2BTKTGM2ALDH1A1
SCHEMBL18891093 0.79 XIAP (0.48) XIAPBIRC2BTKITKTEK
SCHEMBL13403439 0.78 XIAP (0.62) XIAPBIRC2ALDH1A1KDM4EMAPT
SCHEMBL4377108 0.78 XIAP (0.62) XIAPBIRC2ALDH1A1KDM4EMAPT
SCHEMBL28443489 0.78 KDM4E (0.63) BTKITKTEKEPHB4KDR
SCHEMBL30469520 0.78 KDM4E (0.63) BTKITKTEKEPHB4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
EP-2445479-B1 ORAL CARE COMPOSITIONS COMPRISING A POLYMERIC DYE UNILEVER PLC (GB) 2016-09-07 EP disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 WO disclosed
US-9138600-B2 Oral care compositions comprising a polymeric dye CONOPCO, INC. (US) 2015-09-22 US disclosed
EP-2443220-B1 DETERGENT COMPOSITION COMPRISING ANIONIC DYE POLYMER UNILEVER PLC (GB) 2013-08-21 EP disclosed
EP-2547321-A2 METHOD OF TREATING HAIR Unilever PLC (GB) 2013-01-23 EP disclosed
EP-2547319-A2 METHOD OF TREATING HAIR Unilever PLC (GB) 2013-01-23 EP disclosed
WO-2011113250-A1 METHOD OF TREATING HAIR UNILEVER PLC (GB) 2011-09-22 WO disclosed
WO-2011113249-A1 METHOD OF TREATING HAIR UNILEVER PLC (GB) 2011-09-22 WO disclosed
WO-2011113676-A2 METHOD OF TREATING HAIR UNILEVER PLC (GB) 2011-09-22 WO disclosed
WO-2011113675-A2 METHOD OF TREATING HAIR UNILEVER PLC (GB) 2011-09-22 WO disclosed
WO-2010149534-A2 ORAL CARE COMPOSITIONS UNILEVER PLC (GB) 2010-12-29 WO disclosed
WO-2010145887-A1 ANIONIC DYE POLYMERS UNILEVER PLC (GB) 2010-12-23 WO disclosed
WO-2010142503-A1 CATIONIC DYE POLYMERS UNILEVER PLC (GB) 2010-12-16 WO disclosed
US-7332553-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2008-02-19 US disclosed
US-20070106041-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-05-10 US disclosed
US-7208557-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-04-24 US 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 XIAP 2996/4885BIRC2 4174/4885BTK 25/4885
US-20070106041-A1 Functional monomers for molecular recognition and catalysis PCNA, MUS81, PNMT XIAP 1390/4885BIRC2 905/4885BTK 3953/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 XIAP 2996/4885BIRC2 4174/4885BTK 25/4885

“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.