SCHEMBL3701969

SCHEMBL3701969

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
BRAF P15056 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
PTGER3 P43115 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
SCHEMBL3707689 0.92 JAK2 (0.47) JAK2JAK1TYK2KMT2APOLB
Hydrochloric Acid SCHEMBL3712332 0.91 JAK2 (0.47) JAK2JAK1TYK2KMT2APOLB
SCHEMBL3699203 0.90 BRAF (0.38) JAK2JAK1TYK2KMT2ABRAF
Hydrochloric Acid SCHEMBL3702800 0.89 BRAF (0.38) JAK2JAK1TYK2KMT2ABRAF
SCHEMBL3697488 0.89 JAK2 (0.37) JAK2JAK1TYK2BRAFALDH1A1
SCHEMBL3698926 0.89 BRAF (0.43) JAK2JAK1TYK2TRPV1BRAF
SCHEMBL3709308 0.88 PTGER3 (0.42) JAK2JAK1TYK2KMT2ABRAF
SCHEMBL3699237 0.88 KMT2A (0.46) KMT2APOLBTRPV1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3708074 0.87 PTGER3 (0.41) JAK2JAK1TYK2KMT2ABRAF
SCHEMBL3705887 0.87 JAK2 (0.43) JAK2JAK1TYK2KMT2ATRPV1

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.