SCHEMBL3705887

SCHEMBL3705887

O=C(Nc1c(F)cccc1Cl)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
PTGER3 P43115 7/20 0.42
BRAF P15056 3/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
BTK Q06187 3/20 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
SCHEMBL3707689 0.89 JAK2 (0.47) JAK2JAK1TYK2PTGER3BRAF
SCHEMBL3706837 0.89 PTGER3 (0.42) JAK2JAK1TYK2PTGER3BRAF
Hydrochloric Acid SCHEMBL3697364 0.89 PTGER3 (0.41) JAK2JAK1TYK2PTGER3BRAF
Hydrochloric Acid SCHEMBL3712332 0.89 JAK2 (0.47) JAK2JAK1TYK2PTGER3BRAF
SCHEMBL3710294 0.88 PTGER3 (0.42) PTGER3BRAFALDH1A1KDM4EMAPK1
SCHEMBL3699203 0.88 BRAF (0.38) JAK2JAK1TYK2PTGER3BRAF
SCHEMBL3699583 0.87 JAK2 (0.40) JAK2JAK1TYK2PTGER3BRAF
SCHEMBL3701969 0.87 JAK2 (0.45) JAK2JAK1TYK2PTGER3BRAF
Hydrochloric Acid SCHEMBL3702800 0.87 BRAF (0.38) JAK2JAK1TYK2PTGER3BRAF
Hydrochloric Acid SCHEMBL3703860 0.86 FGFR1 (0.39) JAK2JAK1TYK2PTGER3BRAF

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.