SCHEMBL7977705

SCHEMBL7977705

Cc1ccc(-c2[nH]c(-c3cccnc3)nc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
PIN1 Q13526 2/20 0.49
MAPK14 Q16539 2/20 0.46
NPY5R Q15761 2/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
LDHA P00338 1/20 0.45
EPHX2 P34913 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRAF P15056 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
SCHEMBL7978027 0.86 KDM4E (0.67) DHODHKDM4EALDH1A1KMT2AHPGD
SCHEMBL7977930 0.85 PIN1 (0.56) DHODHKDM4EALDH1A1HPGDPIN1
SCHEMBL7995163 0.84 MMP13 (0.55) DHODHKDM4EALDH1A1KMT2AHPGD
SCHEMBL7992039 0.84 MAPK14 (0.56) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL7977738 0.84 MAPK14 (0.56) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL10649656 0.82 PIN1 (0.72) DHODHKDM4EALDH1A1KMT2AHPGD
SCHEMBL7992083 0.79 RAB9A (0.50) KDM4EKMT2AMEN1GAA
SCHEMBL21652629 0.78 PIN1 (0.71) KDM4EKMT2AHPGDPIN1NPY5R
SCHEMBL7977763 0.78 CTRC (0.53) DHODHKDM4EALDH1A1KMT2AHPGD
SCHEMBL29093221 0.77 PIN1 (0.69) DHODHKDM4EALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 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 (1 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A DHODH 4307/4885KDM4E 1283/4885ALDH1A1 2223/4885

“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.