SCHEMBL3706468

SCHEMBL3706468

O=C(Nc1ccccc1F)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.42
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 3/20 0.36
BRAF P15056 3/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 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
SCHEMBL15053943 0.91 BTK (0.41) BTKGAANPSR1JAK2JAK1
SCHEMBL3696236 0.91 BRAF (0.38) BTKNPSR1JAK2JAK1MAPK1
SCHEMBL3699381 0.90 AURKA (0.43) BTKMETBRAFCYP1A2CYP3A4
SCHEMBL3709216 0.90 BRAF (0.38) BTKJAK2JAK1METBRAF
SCHEMBL3706712 0.90 KDR (0.42) BTKMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3702643 0.90 JAK2 (0.41) BTKJAK2JAK1KDM4ENPC1
SCHEMBL3707684 0.89 BTK (0.35) BTKJAK2JAK1NPC1RAB9A
SCHEMBL3703376 0.89 MAPT (0.41) BTKNPSR1ALDH1A1MAPTNPC1
SCHEMBL3700032 0.89 BRAF (0.45) BTKJAK2JAK1KDM4ENPC1
SCHEMBL3702243 0.89 BTK (0.44) BTKKDM4EMAPTMAPK1MET

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 BTK 38/4885GAA 2549/4885NPSR1 1105/4885

“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.