SCHEMBL4174561

SCHEMBL4174561

Nc1n[nH]c2ccc(-c3ccc(C(=O)NNc4cc(Cl)ccc4Cl)o3)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.55
JAK1 P23458 8/20 0.55
GAA P10253 7/20 0.42
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
KMT2A Q03164 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL13925597 0.85 JAK2 (0.51) JAK2JAK1GAAKMT2AS1PR4
SCHEMBL4627041 0.84 JAK2 (0.50) JAK2JAK1GAATYK2JAK3
SCHEMBL13925603 0.84 JAK2 (0.46) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL13925602 0.80 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL4188172 0.79 JAK2 (0.49) JAK2JAK1GAATYK2JAK3
SCHEMBL13925604 0.79 JAK2 (0.58) JAK2JAK1GAATYK2JAK3
SCHEMBL13925601 0.78 KDR (0.44) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL4894925 0.77 MAPK1 (0.54) JAK2JAK1S1PR4ALDH1A1MAPT
SCHEMBL13925600 0.77 KDR (0.44) JAK2JAK1GAAKMT2AALDH1A1
SCHEMBL13925599 0.76 ROCK2 (0.50) JAK2JAK1KMT2AALDH1A1MAPT

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-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
WO-2007090494-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-08-16 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-20090036508-A1 AMINO INDAZOLE DERIVATIVES CHEK1, CHEK2, SGK3 JAK2 559/4885JAK1 523/4885GAA 3878/4885

“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.