SCHEMBL3700209

SCHEMBL3700209

COc1ccc(C)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 8/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
EPHB4 P54760 1/20 0.42
TP53 P04637 4/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL15053596 0.92 PKM (0.43) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL3700898 0.92 MEN1 (0.48) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3712376 0.91 MEN1 (0.45) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3698259 0.91 MAPT (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3702950 0.91 KDR (0.42) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL3702895 0.91 MAPT (0.46) KDM4EMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3710728 0.90 MEN1 (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3708512 0.90 MAPT (0.45) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL3698624 0.89 PKM (0.47) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL3697706 0.88 KDR (0.44) PKMMAPTRAB9ASMN1; SMN2

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 PKM 1822/4885KDM4E 1145/4885MAPT 2492/4885

“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.