SCHEMBL15929448

SCHEMBL15929448

Cc1ccc(-c2c(C)ncn2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
MAPK14 Q16539 2/20 0.41
NSD3 Q9BZ95 2/20 0.40
TGFBR1 P36897 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PTGS2 P35354 3/20 0.36
NSD2 O96028 2/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
TGFBR2 P37173 1/20 0.35

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
SCHEMBL19465343 0.84 KDM5A (0.46) KDM4CMAPK14NSD3ALDH1A1PTGS2
SCHEMBL24185299 0.84 IDO1 (0.42) KDM2BKDM4CMAPK14NSD3ALDH1A1
SCHEMBL22144041 0.84 ALDH1A1 (0.41) KDM2BKDM4CMAPK14NSD3ALDH1A1
Hydrochloric Acid SCHEMBL22125991 0.82 ALDH1A1 (0.40) KDM2BKDM4CMAPK14NSD3ALDH1A1
SCHEMBL22143811 0.81 SYK (0.38) KDM2BKDM4CMAPK14NSD3TGFBR1
SCHEMBL26818511 0.79 NPC1 (0.41) MAPK14NSD3TGFBR1PTGS2NSD2
SCHEMBL15928096 0.77 KDM2B (0.42) KDM2BKDM4CMAPK14NSD3TGFBR1
SCHEMBL14384749 0.73 KDM4C (0.48) KDM2BKDM4CMAPK14TGFBR1ALDH1A1
SCHEMBL12491920 0.72 CYP3A4 (0.47) KDM2BKDM4CTGFBR1ALDH1A1NSD2
SCHEMBL22434890 0.71 KDM2B (0.42) KDM2BKDM4CMAPK14NSD3TGFBR1

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
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM2B 4574/4885KDM4C 4446/4885MAPK14 2773/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM2B 4574/4885KDM4C 4446/4885MAPK14 2773/4885

“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.