SCHEMBL2570972

SCHEMBL2570972

CC(C)(C)c1nc(-c2cccc(C(=O)NCC(F)(F)F)c2)cn1CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
PRKD1 Q15139 2/20 0.44
CNR2 P34972 9/20 0.40
PTGER4 P35408 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
ULK1 O75385 1/20 0.39
CNR1 P21554 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
BRD4 O60885 3/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL2572712 0.90 BRD4 (0.43) PRKD1CNR2ACSS2CNR1BRD4
SCHEMBL2571131 0.90 MTOR (0.45) MTORPRKD1CNR2ACSS2CNR1
SCHEMBL2573559 0.86 CNR2 (0.41) CNR2CNR1BRD4
SCHEMBL2572048 0.85 NR5A2 (0.42) CNR2CNR1
SCHEMBL2571322 0.85 CNR2 (0.41) CNR2CNR1BRD4
SCHEMBL2570359 0.85 CNR2 (0.38) CNR2ULK1CNR1
SCHEMBL2571193 0.83 PRKD1 (0.41) MTORPRKD1CNR2ACSS2BRD4
SCHEMBL2573394 0.83 CNR2 (0.40) MTORCNR2CNR1BRD4
SCHEMBL2573284 0.83 CNR2 (0.42) CNR2CNR1
SCHEMBL2571693 0.83 CNR2 (0.42) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 MTOR 1051/4885PRKD1 1226/4885CNR2 2/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 MTOR 1051/4885PRKD1 1226/4885CNR2 2/4885

“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.