SCHEMBL3709205

SCHEMBL3709205

Cc1cccc(NC(=O)Nc2cccc3c2CCN3Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
MAP3K7 O43318 1/20 0.41
BTK Q06187 12/20 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
GAA P10253 1/20 0.39
KDR P35968 3/20 0.39
PDGFRB P09619 2/20 0.39
PTGER3 P43115 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
SCHEMBL15052619 0.92 BRAF (0.40) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3709456 0.92 MAP3K7 (0.42) BRAFMAP3K7BTKKDR
Hydrochloric Acid SCHEMBL15052985 0.91 BRAF (0.40) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3699381 0.91 AURKA (0.43) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3695095 0.90 BTK (0.43) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3703875 0.90 BRAF (0.47) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3703979 0.90 STING1 (0.42) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3698179 0.90 CYP2D6 (0.49) BRAFMAP3K7BTKCYP2C9PTGER3
SCHEMBL3706712 0.89 KDR (0.42) BRAFBTKKDR
SCHEMBL3706319 0.88 RIPK1 (0.41) BRAFGAAKDRPDGFRBPTGER3

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 114/4885MAP3K7 521/4885BTK 38/4885

“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.