SCHEMBL3703875

SCHEMBL3703875

O=C(Nc1cccc(Cl)c1)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
BTK Q06187 9/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
GOT1 P17174 1/20 0.41
PTGER3 P43115 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITK Q08881 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
MAP3K7 O43318 1/20 0.39

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
SCHEMBL15052980 0.92 BRAF (0.46) BRAFBTKMEN1KMT2ALIMK1
SCHEMBL3709377 0.92 MAPT (0.41) BRAFBTKGOT1ALDH1A1MAP3K7
SCHEMBL3699381 0.91 AURKA (0.43) BRAFBTKCYP1A2CYP3A4CYP2C9
SCHEMBL3709205 0.90 BRAF (0.41) BRAFBTKPTGER3CYP1A2CYP3A4
SCHEMBL3695095 0.90 BTK (0.43) BRAFBTKMEN1KMT2APTGER3
SCHEMBL3703979 0.90 STING1 (0.42) BRAFBTKPTGER3CYP1A2CYP3A4
SCHEMBL3696236 0.89 BRAF (0.38) BRAFBTKMEN1KMT2AGOT1
SCHEMBL3713909 0.88 KMT2A (0.43) MEN1KMT2APTGER3CYP1A2CYP3A4
SCHEMBL3700032 0.88 BRAF (0.45) BRAFBTKMEN1KMT2APTGER3
SCHEMBL3709668 0.88 KDR (0.52) BRAFGOT1CYP2C9CDK8

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 BRAF 114/4885BTK 38/4885MEN1 1556/4885

“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.