SCHEMBL3706376

SCHEMBL3706376

O=C(Nc1ccccc1C(F)(F)F)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
MAPT P10636 2/20 0.46
MAP4K4 O95819 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CDK1 P06493 2/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CCNB2 O95067 1/20 0.40
RET P07949 1/20 0.40

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
Hydrochloric Acid SCHEMBL3705646 0.99 KDM4E (0.46) KDM4EMEN1KMT2ATRPV1MAPT
SCHEMBL15053081 0.91 KDM4E (0.45) KDM4EMEN1KMT2ATRPV1MAPT
SCHEMBL3703394 0.91 BRAF (0.38) KDM4EMEN1KMT2ATRPV1MAPT
SCHEMBL27807404 0.89 PDPK1 (0.38) KDM4EMEN1KMT2ATRPV1MAPT
SCHEMBL3705925 0.88 HTR1A (0.46) KDM4EMEN1KMT2AMAPTHTR2A
SCHEMBL3705702 0.88 BRAF (0.51) TRPV1MAPTHTR2AHTR7HTR6
SCHEMBL3696951 0.88 TRPV1 (0.46) KDM4EMEN1KMT2ATRPV1MAPT
Hydrochloric Acid SCHEMBL3711698 0.87 HTR1A (0.45) KDM4EMEN1KMT2AMAPTHTR2A
SCHEMBL3705574 0.87 MAPT (0.44) KDM4EMEN1KMT2AMAPTHTR2A
Hydrochloric Acid SCHEMBL3710714 0.87 BRAF (0.51) TRPV1MAPTHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 KDM4E 1145/4885MEN1 1556/4885KMT2A 1244/4885

“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.