SCHEMBL19710201

SCHEMBL19710201

CCc1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 9/20 0.48
CYP2C19 P33261 2/20 0.48
MAP4K1 Q92918 5/20 0.47
CYP2D6 P10635 1/20 0.46
ABL1 P00519 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
LCK P06239 1/20 0.44
PGR P06401 1/20 0.44
CSF1R P07333 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
PDGFRB P09619 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
KIT P10721 1/20 0.44
CHRM1 P11229 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL27787175 0.84 JAK2 (0.51) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
SCHEMBL16891589 0.83 JAK2 (0.50) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
SCHEMBL17883509 0.82 JAK2 (0.47) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
SCHEMBL1267965 0.82 JAK2 (0.47) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
SCHEMBL31635964 0.81 JAK2 (0.49) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
Iodide SCHEMBL17873364 0.81 JAK2 (0.46) JAK2CYP2C9CYP3A4CYP2C19MAP4K1
SCHEMBL12762846 0.81 CYP3A4 (0.48) CYP2C9CYP3A4CYP2C19MAP4K1CYP2D6
SCHEMBL12146866 0.81 CYP3A4 (0.48) CYP2C9CYP3A4CYP2C19MAP4K1ABL1
SCHEMBL23405066 0.80 HTR2A (0.58) JAK2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL21920736 0.80 JAK2 (0.48) JAK2CYP2C9CYP3A4CYP2C19MAP4K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355704-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 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-20170355704-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS JAK2 1155/4885CYP2C9 3125/4885CYP3A4 2188/4885

“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.