SCHEMBL3710294

SCHEMBL3710294

O=C(Nc1c(F)cccc1Cl)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.42
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
PDPK1 O15530 2/20 0.38
RAB9A P51151 1/20 0.38
BRAF P15056 2/20 0.37
CYP1A2 P05177 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CACNA1F O60840 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL3705925 0.89 HTR1A (0.46) PTGER3HTR1AHTR2AHTR7ALDH1A1
SCHEMBL3705143 0.89 HTT (0.46) PTGER3HTR1AHTR2AHTR7ALDH1A1
Hydrochloric Acid SCHEMBL3697923 0.89 HTT (0.45) PTGER3HTR1AHTR2AHTR7KDM4E
Hydrochloric Acid SCHEMBL3711698 0.89 HTR1A (0.45) PTGER3HTR1AHTR2AHTR7ALDH1A1
SCHEMBL3705887 0.88 JAK2 (0.43) PTGER3ALDH1A1KDM4EMAPK1MEN1
SCHEMBL3704922 0.88 HTR1A (0.42) PTGER3HTR1AHTR2AHTR7ALDH1A1
SCHEMBL3707180 0.87 PDPK1 (0.42) PTGER3HTR1AHTR2AHTR7MEN1
SCHEMBL3699237 0.87 KMT2A (0.46) ALDH1A1KDM4EMAPK1MEN1MAPT
Hydrochloric Acid SCHEMBL3697552 0.86 DRD4 (0.42) PTGER3HTR1AHTR2AHTR7MEN1
SCHEMBL3699573 0.86 PDPK1 (0.41) HTR1AHTR2AHTR7MEN1KMT2A

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 6 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-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN 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
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN 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 PTGER3 2307/4885HTR1A 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.