SCHEMBL3699717

SCHEMBL3699717

COc1ccccc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
AHR P35869 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
KDR P35968 2/20 0.39
MAPK1 P28482 1/20 0.38
MAP3K7 O43318 1/20 0.38
ADRB3 P13945 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
SCHEMBL3705933 0.92 KMT2A (0.39) BTKKDM4EHTR1AHTR2AHTR7
SCHEMBL15053297 0.92 BTK (0.43) BTKKDM4EHTR1AHTR2AHTR7
SCHEMBL3707580 0.91 MEN1 (0.44) BTKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3701262 0.91 KDM4E (0.42) BTKKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL3706782 0.90 KDR (0.38) BTKKDM4EMAPTALDH1A1KDR
SCHEMBL3707818 0.90 ALDH1A1 (0.46) KDM4EMAPTALDH1A1KDRMAPK1
Hydrochloric Acid SCHEMBL3699244 0.90 ALDH1A1 (0.45) KDM4EMAPTALDH1A1KDRMAPK1
SCHEMBL3707216 0.89 P2RY1 (0.40) KDRCIT
SCHEMBL3703376 0.89 MAPT (0.41) BTKMAPTALDH1A1NPC1TP53
SCHEMBL3698179 0.89 CYP2D6 (0.49) BTKKDM4EMAPTALDH1A1NPC1

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 BTK 38/4885KDM4E 1145/4885HTR1A 1518/4885

“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.