SCHEMBL1614422

SCHEMBL1614422

COc1cc(C#N)cc(OC)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
TTR P02766 2/20 0.41
ALB P02768 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.36
AMY1A P0DUB6 1/20 0.36
EGFR P00533 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL25198419 0.88 AR (0.45) ARTTRALBMEN1KMT2A
SCHEMBL523635 0.79 TSHR (0.46) ARTTRALBMEN1KMT2A
SCHEMBL26094739 0.79 KDM4E (0.42) POLBKDM4EUSP2ALDH1A1MAPT
SCHEMBL31432665 0.79 AR (0.44) ARTTRALBKMT2AHPGDS
SCHEMBL6644614 0.79 AR (0.49) ARTTRALBMEN1KMT2A
SCHEMBL509507 0.79 ACHE (0.52) ARL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL18112970 0.78 MEN1 (0.44) ARTTRALBMEN1KMT2A
SCHEMBL31038036 0.78 TTR (0.44) ARTTRALBMEN1KMT2A
SCHEMBL31014083 0.78 XDH (0.36) ARTTRALBMEN1KMT2A
SCHEMBL18585500 0.78 MAPT (0.48) ARTTRALBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 US disclosed
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
EP-2266990-B1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-26 EP disclosed
EP-2266990-B1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-26 EP disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
US-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions EUTICALS GMBH (DE) 2008-10-02 US disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
CN-101208296-A Process for preparing nitriles by elimination reactions ARCHIMICA GMBH (DE) 2008-06-25 CN disclosed
EP-1910276-A1 PROCESS FOR PREPARING NITRILES BY ELIMINATION REACTIONS Archimica GmbH (DE) 2008-04-16 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
WO-2007012387-A1 PROCESS FOR PREPARING NITRILES BY ELIMINATION REACTIONS ARCHIMICA GMBH (DE) 2007-02-01 WO disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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 (4 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-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF CXCL12, CXCR4, SDF4 AR 2041/4885TTR 2343/4885ALB 2792/4885
US-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions CBR1, CBR3, PHOSPHO1 AR 1281/4885TTR 1232/4885ALB 3438/4885
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS CRHR1, AGTR1, CRHR2 AR 338/4885TTR 2643/4885ALB 2944/4885
US-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM AR 4577/4885TTR 668/4885ALB 1383/4885

“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.