SCHEMBL378963

SCHEMBL378963

Cc1cc(Oc2ccc(F)cc2C#N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.50
▸ SLC22A12 Q96S37 9/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL12216024 0.89 AR (0.50) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL16792415 0.84 GAA (0.58) ARHTR2ASLC6A4
SCHEMBL5949965 0.81 AR (0.56) ARSLC22A12
SCHEMBL11100867 0.81 AR (0.53) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL19057971 0.80 AR (0.47) ARSLC22A12KCNH2
SCHEMBL2446602 0.78 MAPT (0.50) ARSLC22A12
SCHEMBL11752736 0.78 AR (0.57) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL17407526 0.77 AR (0.50) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL378894 0.76 SLC22A12 (0.46) ARSLC22A12
SCHEMBL5837296 0.75 SLC22A12 (0.57) ARSLC22A12HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790206-B2 Intermediates for use in the preparation of indazole derivatives and processes for the preparation thereof ARRAY BIOPHARMA INC. (US) 2017-10-17 — — US disclosed
US-9790206-B2 Intermediates for use in the preparation of indazole derivatives and processes for the preparation thereof ARRAY BIOPHARMA INC. (US) 2017-10-17 — — US disclosed
EP-2961744-B1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC (US) 2017-06-28 — — EP disclosed
US-20160002210-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2016-01-07 — — US disclosed
US-20160002210-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2016-01-07 — — US disclosed
WO-2014134313-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2014-09-04 — — WO disclosed
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 — — EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 — — US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 — — EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 — — EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
EP-1981851-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-10-22 — — EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 — — WO disclosed
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 — — WO disclosed
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 — — WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 — — EP disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 — — EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 — — US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 — — US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 — — 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-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 AR 4017/4885SLC22A12 3886/4885HTR2A 3462/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 AR 4017/4885SLC22A12 3886/4885HTR2A 3462/4885
US-20160002210-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CYP3A7, CYP3A5, CYP3A43 AR 3031/4885SLC22A12 3300/4885HTR2A 3937/4885

“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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