SCHEMBL3703979

SCHEMBL3703979

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.42
BTK Q06187 14/20 0.40
BRAF P15056 2/20 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
MAP3K7 O43318 1/20 0.39
PTGER3 P43115 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL15054385 0.92 STING1 (0.41) STING1BTKBRAFCYP1A2CYP3A4
SCHEMBL3709593 0.92 MAP3K7 (0.40) STING1BTKBRAFCYP1A2CYP3A4
SCHEMBL3699381 0.91 AURKA (0.43) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3703875 0.90 BRAF (0.47) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3695095 0.90 BTK (0.43) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3709205 0.90 BRAF (0.41) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3709216 0.89 BRAF (0.38) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3701249 0.88 STING1 (0.46) STING1CYP1A2CYP3A4PTGER3TRPV1
SCHEMBL3707684 0.88 BTK (0.35) BTKBRAFCYP1A2CYP3A4CYP2C9
SCHEMBL3709668 0.88 KDR (0.52) BRAFCYP2C9TRPV1

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 STING1 1679/4885BTK 38/4885BRAF 114/4885

“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.