SCHEMBL18179682

SCHEMBL18179682

CCc1cc(-c2ccc(F)c(Cl)c2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
PGR P06401 4/20 0.40
NISCH Q9Y2I1 1/20 0.40
COMT P21964 1/20 0.40
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
KMO O15229 2/20 0.40
CASP1 P29466 1/20 0.39
ABL1 P00519 1/20 0.39
ALPL P05186 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL14985523 0.83 COMT (0.44) LMNAHPGDCOMTALPLCA12
SCHEMBL14844976 0.81 LMNA (0.47) LMNAHPGDNISCHKMOCASP1
SCHEMBL14985512 0.79 CA12 (0.50) LMNACOMTALPLCA12CA9
SCHEMBL14985496 0.78 ALDH1A1 (0.50) LMNAHPGDPGRCOMT
SCHEMBL28100831 0.77 LMNA (0.43) LMNAHPGDPGRNISCHNR3C1
SCHEMBL18556882 0.77 SMN1; SMN2 (0.48) LMNAHPGD
SCHEMBL14726281 0.76 CASP1 (0.44) LMNAHPGDPGRNISCHNR3C1
SCHEMBL14845060 0.76 LMNA (0.40) LMNAHPGDPGRNR3C1NR3C2
SCHEMBL16700642 0.75 ALPL (0.39) LMNAHPGDPGRNISCHNR3C1
SCHEMBL16730757 0.75 MAPT (0.50) LMNAHPGDCOMTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
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

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 LMNA 3702/4885HPGD 2910/4885PGR 2386/4885

“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.