SCHEMBL3709385

SCHEMBL3709385

O=C(Nc1ccc(Cl)cc1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.47
DRD3 P35462 10/20 0.47
DRD2 P14416 8/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
CACNA1F O60840 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL3703082 0.92 DRD4 (0.45) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL15053310 0.92 RAB9A (0.44) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3713909 0.92 KMT2A (0.43) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3699433 0.91 HTR1A (0.47) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3708118 0.91 DRD4 (0.47) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3697641 0.91 BRAF (0.47) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3703084 0.90 HTR2A (0.43) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3696986 0.89 HTR1A (0.44) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3709473 0.89 P2RY1 (0.41) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3705882 0.89 BRAF (0.49) HTR1AHTR2AHTR7HTR6STING1

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 7 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
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
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 DRD4 4748/4885DRD3 4531/4885DRD2 4262/4885

“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.