SCHEMBL3701037

SCHEMBL3701037

O=C(Nc1ccc(Cl)cc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BRAF P15056 3/20 0.37
TRPV1 Q8NER1 2/20 0.37
MET P08581 3/20 0.37
PTGER3 P43115 1/20 0.36
AKT2 P31751 1/20 0.36
TP53 P04637 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
JAK3 P52333 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
Hydrochloric Acid SCHEMBL3711701 0.99 MEN1 (0.39) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL3699583 0.94 JAK2 (0.40) JAK2JAK1TYK2MEN1KMT2A
Hydrochloric Acid SCHEMBL3703860 0.93 FGFR1 (0.39) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL3706837 0.89 PTGER3 (0.42) JAK2JAK1TYK2MEN1KMT2A
Hydrochloric Acid SCHEMBL3697364 0.89 PTGER3 (0.41) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL27828001 0.88 TRPV1 (0.46) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL3699573 0.88 PDPK1 (0.41) MEN1KMT2ABRAFTRPV1TP53
SCHEMBL3702027 0.88 BRAF (0.49) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL3709367 0.88 MAPT (0.43) JAK2JAK1TYK2MEN1KMT2A
Hydrochloric Acid SCHEMBL3695395 0.87 DRD4 (0.41) MEN1KMT2ABRAFTRPV1TP53

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 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.