SCHEMBL3707580

SCHEMBL3707580

COc1ccc(OC)c(NC(=O)Nc2cccc3c2CCN3Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
MAP3K7 O43318 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RGS12 O14924 1/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRAF P15056 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
SCHEMBL15053565 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3701262 0.92 KDM4E (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3707818 0.92 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3705933 0.92 KMT2A (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3706782 0.92 KDR (0.38) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3695077 0.92 KDR (0.39) MEN1KMT2AMAP3K7ROCK2ROCK1
SCHEMBL3699717 0.91 BTK (0.44) MEN1KMT2AALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL3699244 0.91 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3698179 0.90 CYP2D6 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3699924 0.90 MAP3K7 (0.45) KMT2AKDM4EMAPTMAP3K7SMN1; 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 5 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
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN disclosed
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 MEN1 1556/4885KMT2A 1244/4885ALDH1A1 1084/4885

“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.