SCHEMBL16722682

SCHEMBL16722682

N#Cc1ccc(NC(=O)O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.60
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
S1PR3 Q99500 1/20 0.50
BLM P54132 1/20 0.50
SLC22A12 Q96S37 3/20 0.49
AR P10275 3/20 0.48
GRM4 Q14833 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL307278 0.88 IDO1 (0.62) IDO1ALDH1A1LMNAGAABLM
SCHEMBL16728601 0.85 ALDH1A1 (0.63) IDO1ALDH1A1LMNAGAABLM
SCHEMBL18677472 0.82 ALDH1A1 (0.57) IDO1ALDH1A1LMNAGAABLM
SCHEMBL17434515 0.82 ALDH1A1 (0.54) IDO1ALDH1A1LMNAGAAKDM4E
SCHEMBL12354889 0.81 ALDH1A1 (0.56) IDO1ALDH1A1LMNAGAABLM
SCHEMBL16722485 0.81 BLM (0.51) ALDH1A1LMNAGAAS1PR3BLM
SCHEMBL4167081 0.81 S1PR3 (0.52) IDO1ALDH1A1LMNAGAAS1PR3
SCHEMBL13909401 0.80 IDO1 (0.54) IDO1ALDH1A1LMNAGAABLM
SCHEMBL2481947 0.80 AR (0.61) IDO1AR
SCHEMBL12050119 0.80 AR (0.58) IDO1AR

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-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
EP-3068784-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 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-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 IDO1 1288/4885ALDH1A1 1456/4885LMNA 3702/4885

“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.