SCHEMBL5577537

SCHEMBL5577537

Cc1c(Cl)cccc1C(=O)NCc1scnc1C1(C#N)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.43
PRKAA2 P54646 5/20 0.41
GPR6 P46095 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR3 P49682 2/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALK Q9UM73 1/20 0.37
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.36
TOP1 P11387 1/20 0.36
NR3C1 P04150 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
SCHEMBL5577840 0.90 MT-CO2 (0.46) MT-CO2PRKAA2MEN1RAB9AKMT2A
SCHEMBL5577863 0.89 KDM4E (0.39) MEN1KMT2A
SCHEMBL5577559 0.87 MAPK8 (0.43) MT-CO2PRKAA2GPR6MEN1RAB9A
SCHEMBL5577480 0.84 MT-CO2 (0.54) MT-CO2PRKAA2MEN1RAB9AKMT2A
SCHEMBL5577459 0.84 MT-CO2 (0.42) MT-CO2PRKAA2GPR6MEN1RAB9A
SCHEMBL5577487 0.84 PRKAA2 (0.47) PRKAA2CXCR3CYP2D6
SCHEMBL5577806 0.83 MT-CO2 (0.45) MT-CO2PRKAA2GPR6MEN1RAB9A
SCHEMBL5577294 0.82 MT-CO2 (0.49) MT-CO2PRKAA2MEN1RAB9AKMT2A
SCHEMBL5577401 0.82 MT-CO2 (0.47) MT-CO2MEN1RAB9AKMT2ANR3C1
SCHEMBL5577558 0.81 MT-CO2 (0.47) MT-CO2PRKAA2GPR6CXCR3TP53

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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 (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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MT-CO2 2047/4885PRKAA2 4492/4885GPR6 1056/4885

“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.