SCHEMBL17888306

SCHEMBL17888306

Cc1ccc(C(=O)NCc2cccnc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ NAMPT P43490 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ AGTR1 P30556 1/20 0.48

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
SCHEMBL17886678 0.87 LMNA (0.59) PIK3CAKMT2AMEN1ALDH1A1NAMPT
SCHEMBL21077877 0.86 RAB9A (0.52) PIK3CAKMT2AMEN1HPGDALDH1A1
SCHEMBL29801063 0.83 THRB (0.57) PIK3CAKMT2AMEN1HPGDALDH1A1
SCHEMBL24976786 0.82 PIK3CA (0.48) PIK3CAKMT2AHPGDALDH1A1NAMPT
SCHEMBL29801076 0.82 PIK3CA (0.48) PIK3CAKMT2AHPGDALDH1A1NAMPT
SCHEMBL13731868 0.81 CYP2C9 (0.59) PIK3CAKMT2AMEN1HPGDALDH1A1
SCHEMBL30421108 0.80 CYP2C9 (0.54) PIK3CAKMT2AMEN1NAMPTLMNA
SCHEMBL19323056 0.80 CYP2C9 (0.54) PIK3CAKMT2AMEN1NAMPTLMNA
SCHEMBL29996168 0.78 PIK3CA (0.46) PIK3CAKMT2AMEN1HPGDALDH1A1
SCHEMBL2520001 0.78 KMT2A (0.66) KMT2AMEN1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PIK3CA 221/4885KMT2A 1797/4885MEN1 2118/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PIK3CA 221/4885KMT2A 1797/4885MEN1 2118/4885

“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.

Send feedback