SCHEMBL13211819

SCHEMBL13211819

Cc1ccc(C(=O)N(C)Cc2ccncc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.84
▸ NAMPT P43490 4/20 0.56
▸ LIMK2 P53671 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GRM1 Q13255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MLYCD O95822 1/20 0.46

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
SCHEMBL11187328 0.85 KMT2A (0.66) MMP13NAMPTLIMK2NPC1RAB9A
SCHEMBL10195007 0.84 MMP13 (0.63) MMP13NAMPTNPC1RAB9AKMT2A
SCHEMBL3455399 0.83 LIMK2 (0.69) MMP13LIMK2NPC1RAB9AKMT2A
SCHEMBL7237239 0.83 MMP13 (0.73) MMP13NAMPTLIMK2KMT2APOLB
SCHEMBL17886728 0.83 MMP13 (0.61) MMP13NAMPTRAB9AKMT2AHDAC1
SCHEMBL17888452 0.83 MMP13 (0.60) MMP13NAMPTNPC1RAB9AKMT2A
SCHEMBL7236313 0.82 NSD2 (0.71) MMP13NAMPTNPC1KMT2AHDAC1
SCHEMBL31660043 0.82 MMP13 (0.60) MMP13NAMPTKMT2APOLBMEN1
SCHEMBL18773998 0.82 MEN1 (0.61) MMP13NAMPTLIMK2KMT2AMEN1
SCHEMBL13947136 0.82 MMP13 (0.60) MMP13LIMK2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — 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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MMP13 3952/4885NAMPT 1885/4885LIMK2 860/4885
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH MMP13 3199/4885NAMPT 609/4885LIMK2 3927/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B MMP13 1841/4885NAMPT 464/4885LIMK2 4197/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MMP13 3952/4885NAMPT 1885/4885LIMK2 860/4885

“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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