SCHEMBL3699254

SCHEMBL3699254

N#Cc1ccccc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.38
JAK1 P23458 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
CIT O14578 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K1 Q92918 1/20 0.35
LMNA P02545 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
SCHEMBL15053942 0.92 JAK2 (0.38) JAK2JAK1KDM4EGAAALDH1A1
SCHEMBL3705534 0.89 GOT1 (0.42) JAK2JAK1KDM4EALDH1A1MAPT
SCHEMBL3699381 0.89 AURKA (0.43) CYP1A2BTK
SCHEMBL3710715 0.88 HTR2A (0.42) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL3700032 0.88 BRAF (0.45) JAK2JAK1KDM4EPOLBSMN1; SMN2
SCHEMBL3707684 0.88 BTK (0.35) JAK2JAK1CYP1A2MEN1KMT2A
SCHEMBL3706468 0.88 BTK (0.42) JAK2JAK1KDM4EGAAALDH1A1
SCHEMBL3703376 0.88 MAPT (0.41) ALDH1A1MAPTCITCYP1A2MEN1
SCHEMBL3707054 0.88 CCR3 (0.43) JAK2JAK1ALDH1A1MAPTCYP1A2
SCHEMBL3699717 0.85 BTK (0.44) KDM4EGAAALDH1A1MAPTALOX15

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 4 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
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

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 JAK2 37/4885JAK1 92/4885KDM4E 1145/4885

“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.