SCHEMBL3109998

SCHEMBL3109998

COc1ccc(C(N)c2nnc(Cl)c3cc(F)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TRPA1 O75762 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PMM2 O15305 2/20 0.34
MIF P14174 2/20 0.34
MPI P34949 2/20 0.34
PHOSPHO1 Q8TCT1 2/20 0.34
CASP1 P29466 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAP2K4 P45985 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAOB P27338 1/20 0.33
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3107694 0.95 PDE5A (0.35) GPR139GAAMEN1KMT2ATRPA1
SCHEMBL3755762 0.86 MAPT (0.36) GPR139GAAMEN1KMT2ACASP1
SCHEMBL3758608 0.81 MAPT (0.36) GPR139GAACASP1ALDH1A1PDE5A
SCHEMBL3108716 0.78 TRPA1 (0.37) GPR139GAAMEN1KMT2ATRPA1
SCHEMBL3119298 0.78 KMT2A (0.36) GPR139GAAMEN1KMT2ATRPA1
SCHEMBL3760928 0.77 GPR139 (0.36) GPR139GAAMEN1KMT2ACASP1
SCHEMBL3762536 0.77 GPR139 (0.36) GPR139GAAMEN1KMT2ACASP1
SCHEMBL3115203 0.71 PLA2G2A (0.39) GPR139MEN1KMT2ANPC1RAB9A
SCHEMBL3752413 0.71 NFE2L2 (0.53) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL3110008 0.71 CASP1 (0.46) CASP1

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX GPR139 3975/4885GAA 194/4885MEN1 2032/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX GPR139 3421/4885GAA 231/4885MEN1 1979/4885

“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.