SCHEMBL4268002

SCHEMBL4268002

NC(=O)[CH]c1cc[nH]c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
NOTUM Q6P988 1/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
FKBP5 Q13451 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32
PPARG P37231 1/20 0.32
RIN1 Q13671 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CRBN Q96SW2 1/20 0.31
PDPK1 O15530 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL2688928 0.77 IDH1 (0.35) IDH1NOTUMJAK2JAK1TYK2
SCHEMBL1753475 0.74
SCHEMBL9158935 0.72
SCHEMBL3882017 0.72
Hydrochloric Acid SCHEMBL28103981 0.72 CYP2A6 (0.48) IDH1NOTUMKMT2AFKBP5NSD2
SCHEMBL12497506 0.72 CYP2A6 (0.62) MEN1KMT2A
SCHEMBL6163681 0.71 MEN1 (0.44) NOTUMMEN1KMT2AL3MBTL1
SCHEMBL4277348 0.69 IDH1 (0.42) IDH1MEN1KMT2AGRM8GRM4
SCHEMBL2881701 0.68 NOTUM (0.52) NOTUMFKBP5NSD2ABL1PPARG
SCHEMBL4604293 0.67 CA2 (0.44) NOTUMNSD2ABL1PPARGRIN1

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
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 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 (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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 IDH1 1759/4885NOTUM 4290/4885JAK2 622/4885

“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.