SCHEMBL3107699

SCHEMBL3107699

COc1ccc(CNc2nnc(Cl)c3ccc(F)cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.70
MAP2K4 P45985 1/20 0.60
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL3110004 0.95 PDE5A (0.64) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3758609 0.86 PDE5A (0.71) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL7991813 0.82 PDE5A (1.00) PDE5A
SCHEMBL3755765 0.81 PDE5A (0.65) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3108720 0.79 MAP2K4 (0.61) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3121603 0.79 MAP2K4 (0.58) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3762539 0.77 PDE5A (0.54) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3760931 0.77 PDE5A (0.54) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL26157986 0.74 PDE5A (0.56) PDE5AMAP2K4HTTMEN1KMT2A
SCHEMBL3115206 0.73 MAP2K4 (0.54) PDE5AMAP2K4HTTMEN1KMT2A

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 PDE5A 2924/4885MAP2K4 3850/4885HTT 2744/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDE5A 3000/4885MAP2K4 3788/4885HTT 2787/4885

“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.