SCHEMBL4569773

SCHEMBL4569773

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2c1ccn2BC=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
EPHB4 P54760 3/20 0.39
IGF1R P08069 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDR P35968 1/20 0.38
RBP4 P02753 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3695866 0.84 ALDH1A1 (0.42) ALDH1A1EPHB4IGF1RMEN1KMT2A
SCHEMBL4569774 0.83 IGF1R (0.42) ALDH1A1EPHB4IGF1RMEN1KMT2A
SCHEMBL3707818 0.82 ALDH1A1 (0.46) ALDH1A1EPHB4IGF1RMEN1KMT2A
Hydrochloric Acid SCHEMBL3699244 0.82 ALDH1A1 (0.45) ALDH1A1EPHB4IGF1RMEN1KMT2A
SCHEMBL3707545 0.78 IGF1R (0.48) ALDH1A1IGF1RMEN1KMT2AMAPT
SCHEMBL15077854 0.76 ALDH1A1 (0.38) ALDH1A1EPHB4IGF1RMEN1KMT2A
SCHEMBL256206 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15052734 0.75 ALDH1A1 (0.44) ALDH1A1EPHB4IGF1RMEN1KMT2A
Hydrochloric Acid SCHEMBL15052409 0.75 ALDH1A1 (0.44) ALDH1A1EPHB4IGF1RMEN1KMT2A
SCHEMBL3701262 0.74 KDM4E (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E

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 2 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 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 ALDH1A1 1084/4885EPHB4 33/4885IGF1R 41/4885

“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.