SCHEMBL3472610

SCHEMBL3472610

Cc1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LCK P06239 1/20 0.44
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
TDP2 O95551 1/20 0.43
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 2/20 0.41
PDE7A Q13946 1/20 0.40
BRD4 O60885 1/20 0.40
GSR P00390 1/20 0.40
PIK3CA P42336 1/20 0.39
KDM1A O60341 1/20 0.39
CFTR P13569 1/20 0.39
NPBWR1 P48145 1/20 0.39

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
SCHEMBL28285676 0.89 KDM4E (0.55) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3475191 0.88 TGFBR1 (0.48) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL15147603 0.86 KDM4E (0.58) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3473462 0.83 SMN1; SMN2 (0.47) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3473860 0.81 ALDH1A1 (0.53) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL13366943 0.80 KDM4E (0.51) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL13366929 0.78 KDM4E (0.53) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3474781 0.78 PDE10A (0.44) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL28464136 0.75 KDM4E (0.60) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL15077798 0.73 AHR (0.44) KDM4EALDH1A1HPGDPDE10APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KDM4E 1283/4885ALDH1A1 503/4885GLA 1927/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KDM4E 1283/4885ALDH1A1 503/4885GLA 1927/4885

“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.