SCHEMBL3697488

SCHEMBL3697488

Cc1c(Br)cccc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
BRAF P15056 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NUDT1 P36639 1/20 0.34
KLKB1 P03952 1/20 0.34
PRKCI P41743 2/20 0.34
PTGER3 P43115 1/20 0.34
SYK P43405 1/20 0.33
AURKA O14965 4/20 0.33
AURKB Q96GD4 4/20 0.33
ROCK1 Q13464 2/20 0.33
ROCK2 O75116 2/20 0.33
LYN P07948 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CIT O14578 1/20 0.33

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
SCHEMBL3707982 0.92 JAK2 (0.39) JAK2JAK1TYK2BRAFTHRA
Hydrochloric Acid SCHEMBL1457353 0.91 JAK2 (0.38) JAK2JAK1TYK2BRAFTHRA
SCHEMBL3699203 0.90 BRAF (0.38) JAK2JAK1TYK2BRAFTHRA
Hydrochloric Acid SCHEMBL3702800 0.89 BRAF (0.38) JAK2JAK1TYK2BRAFTHRA
SCHEMBL3701969 0.89 JAK2 (0.45) JAK2JAK1TYK2BRAFPTGER3
SCHEMBL3703557 0.89 BRAF (0.36) JAK2JAK1TYK2BRAFTHRA
SCHEMBL3709308 0.88 PTGER3 (0.42) JAK2JAK1TYK2BRAFPTGER3
Hydrochloric Acid SCHEMBL3704138 0.88 BRAF (0.35) JAK2JAK1TYK2BRAFTHRA
SCHEMBL3695287 0.88 MTNR1A (0.39) BRAFPTGER3ALDH1A1
Hydrochloric Acid SCHEMBL3708074 0.87 PTGER3 (0.41) JAK2JAK1TYK2BRAFPTGER3

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 92/4885TYK2 301/4885

“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.