SCHEMBL3699696

SCHEMBL3699696

O=C(Nc1cc(Br)ccc1F)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
HTR7 P34969 3/20 0.38
FGFR1 P11362 2/20 0.37
FGFR4 P22455 2/20 0.37
BRAF P15056 3/20 0.37
RIPK1 Q13546 1/20 0.36
MTNR1A P48039 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1F O60840 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35

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
Hydrochloric Acid SCHEMBL3702661 0.99 PDPK1 (0.41) PDPK1DRD2DRD4DRD3HTR1A
SCHEMBL15052569 0.92 PDPK1 (0.39) PDPK1DRD2DRD4DRD3HTR1A
SCHEMBL3707180 0.91 PDPK1 (0.42) PDPK1DRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL3697552 0.90 DRD4 (0.42) PDPK1DRD2DRD4DRD3HTR1A
SCHEMBL3699402 0.90 BRAF (0.44) PDPK1HTR1AHTR2AHTR7BRAF
SCHEMBL27807477 0.90 DRD4 (0.41) PDPK1DRD2DRD4DRD3FGFR1
SCHEMBL3705925 0.89 HTR1A (0.46) PDPK1DRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL3711698 0.89 HTR1A (0.45) PDPK1DRD2DRD4DRD3HTR1A
SCHEMBL3710695 0.88 RIPK1 (0.49) HTR2AHTR7BRAFRIPK1HTR6
SCHEMBL27807471 0.88 PDPK1 (0.44) PDPK1HTR1AHTR2AHTR7FGFR1

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 PDPK1 985/4885DRD2 4262/4885DRD4 4748/4885

“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.