SCHEMBL3701262

SCHEMBL3701262

COc1ccc(C)cc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 6/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTK Q06187 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15052959 0.92 KDM4E (0.41) KDM4EMEN1KMT2AMAPTCASP3
SCHEMBL3707580 0.92 MEN1 (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3707818 0.92 ALDH1A1 (0.46) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3705933 0.92 KMT2A (0.39) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3706782 0.92 KDR (0.38) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3699717 0.91 BTK (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL3699244 0.91 ALDH1A1 (0.45) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3705503 0.89 HTR1A (0.47) KDM4EMEN1KMT2AMAPTCASP3
SCHEMBL3706712 0.89 KDR (0.42) MAPTPKMSMN1; SMN2RAB9ABTK
SCHEMBL3703668 0.88 MAPK14 (0.39) MAPTALDH1A1BTKKDR

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.