SCHEMBL4472581

SCHEMBL4472581

CCc1cccc(-c2cnccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
PIM2 Q9P1W9 1/20 0.47
WNT3A P56704 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
LRRK2 Q5S007 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ABL1 P00519 1/20 0.41
BACE1 P56817 2/20 0.41
GRK6 P43250 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL25769588 0.97 IDO1 (0.51) IDO1PIM2WNT3ACYP2D6CYP19A1
SCHEMBL2022800 0.83 PIM2 (0.47) PIM2WNT3ACYP2D6CYP19A1CYP2C9
SCHEMBL28144721 0.83 LOXL2 (0.58) PIM2WNT3AHRH3BACE1GRK6
SCHEMBL2023888 0.83 PRKCI (0.57) PIM2WNT3AHRH3GRK6
SCHEMBL5377120 0.83 PIM2 (0.47) PIM2WNT3ACYP2D6CYP19A1CYP2C9
SCHEMBL12775569 0.83 CTSS (0.45) IDO1PIM2WNT3ACYP2D6CYP19A1
SCHEMBL12900062 0.81 IDO1 (0.54) IDO1NISCHLRRK2HRH3CTSS
SCHEMBL30639507 0.81 CHRNA7 (0.50) PIM2WNT3AHRH3GRK6
SCHEMBL28799912 0.81 PIM2 (0.45) PIM2WNT3ACYP2D6CYP19A1CYP2C9
SCHEMBL27032743 0.81 CHRNA7 (0.50) PIM2WNT3AHRH3GRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK IDO1 940/4885PIM2 680/4885WNT3A 3015/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK IDO1 940/4885PIM2 680/4885WNT3A 3015/4885

“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.