SCHEMBL15739740

SCHEMBL15739740

Cc1nc2cnc(C(=O)O)cn2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
MCHR1 Q99705 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
USP7 Q93009 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
DHODH Q02127 1/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
PPARD Q03181 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TGFBR1 P36897 1/20 0.37
SMO Q99835 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL15739861 0.85 AKT1 (0.51) MCHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL15718226 0.85 AKT1 (0.38) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15718488 0.82 GRM5 (0.46) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15718690 0.81 BTK (0.48) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL15718487 0.81 TRPV1 (0.47) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15718631 0.80 RAB9A (0.50) GRM5MCHR1TRPV1MEN1MAPT
SCHEMBL15718206 0.79 TRPV1 (0.46) GRM5MCHR1PSEN1PSEN2APH1B
SCHEMBL15718000 0.78 PIK3CD (0.41) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL15718229 0.78 MCHR1 (0.42) MCHR1DHODHAKT1AKT2SMO
SCHEMBL15718866 0.78 MKNK1 (0.54) MKNK1MKNK2

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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 GRM5 1444/4885MCHR1 1730/4885PSEN1 129/4885

“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.