SCHEMBL3703376

SCHEMBL3703376

Cc1ccccc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRAF P15056 1/20 0.37
MET P08581 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MAP3K7 O43318 1/20 0.36
BTK Q06187 7/20 0.36
ALDH1A1 P00352 1/20 0.36
DDX3X O00571 1/20 0.35
CIT O14578 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL15053735 0.91 MAPT (0.39) MAPTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL3699381 0.90 AURKA (0.43) BRAFMETMAP3K7BTKCYP1A2
SCHEMBL3709456 0.90 MAP3K7 (0.42) NPC1RAB9ABRAFMETMAP3K7
SCHEMBL3707684 0.89 BTK (0.35) NPC1RAB9ABRAFMEN1KMT2A
SCHEMBL3700032 0.89 BRAF (0.45) NPC1RAB9ABRAFMETMEN1
SCHEMBL3706468 0.89 BTK (0.42) MAPTNPSR1NPC1RAB9ABRAF
SCHEMBL3699717 0.89 BTK (0.44) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL3709205 0.88 BRAF (0.41) BRAFMAP3K7BTKCYP1A2CYP3A4
SCHEMBL3699254 0.88 JAK2 (0.38) MAPTMEN1KMT2ABTKALDH1A1
SCHEMBL3706596 0.88 HTR2A (0.44) MAPTNPSR1L3MBTL1NPC1RAB9A

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 MAPT 2492/4885NPSR1 1105/4885L3MBTL1 4116/4885

“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.