SCHEMBL3707545

SCHEMBL3707545

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.48
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
RBP4 P02753 2/20 0.42
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
CACNA1F O60840 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL15053716 0.92 IGF1R (0.47) IGF1RHTR1AHTR2AHTR7HTR6
SCHEMBL15052949 0.92 IGF1R (0.49) IGF1RHTR1AHTR2AHTR7HTR6
SCHEMBL3697600 0.92 HTR1A (0.47) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL3705503 0.92 HTR1A (0.47) IGF1RHTR1AHTR2AHTR7HTR6
SCHEMBL3710755 0.91 HTR1A (0.50) IGF1RHTR1AHTR2AHTR7HTR6
SCHEMBL3706455 0.91 HTR1A (0.46) IGF1RHTR1AHTR2AHTR7HTR6
SCHEMBL3693957 0.90 HTR1A (0.54) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL3707818 0.89 ALDH1A1 (0.46) IGF1RALDH1A1MEN1KMT2APOLB
SCHEMBL3696986 0.89 HTR1A (0.44) HTR1AHTR2AHTR7HTR6POLB
Hydrochloric Acid SCHEMBL3699244 0.89 ALDH1A1 (0.45) IGF1RALDH1A1MEN1KMT2APOLB

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 IGF1R 41/4885HTR1A 1518/4885HTR2A 1776/4885

“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.