SCHEMBL3696979

SCHEMBL3696979

Cc1ccc(Br)c(NC(=O)Nc2cccc3c2ccn3Cc2c[nH]c3ncccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
DRD4 P21917 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
BRAF P15056 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
PDPK1 O15530 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL3699402 0.90 BRAF (0.44) MTNR1ABRAFPDPK1MAPTMEN1
SCHEMBL3709520 0.90 PTGER3 (0.40) MTNR1ADRD4DRD2DRD3BRAF
SCHEMBL3713785 0.89 ITGB2 (0.43) MTNR1ADRD4DRD2DRD3ITGB2
SCHEMBL3695287 0.89 MTNR1A (0.39) MTNR1ADRD4DRD2DRD3BRAF
Hydrochloric Acid SCHEMBL3699516 0.89 ITGB2 (0.42) MTNR1ADRD4DRD2DRD3ITGB2
SCHEMBL3698624 0.88 PKM (0.47) FGFR1FGFR4ALDH1A1KDM4ETHRB
SCHEMBL3703394 0.88 BRAF (0.38) MTNR1ABRAFPDPK1KDM4EHPGD
SCHEMBL3703557 0.88 BRAF (0.36) BRAFTHRATHRBFLT1KDR
SCHEMBL3712109 0.88 PTGER3 (0.47) BRAFPDPK1ALDH1A1KDM4EMAPT
SCHEMBL3702305 0.88 BRAF (0.49) MTNR1ABRAFGPR84ALDH1A1KDM4E

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 MTNR1A 1755/4885DRD4 4748/4885DRD2 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.