SCHEMBL17314940

SCHEMBL17314940

CCC1CCC(Cn2cnc3nc(Cl)nc(Cl)c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.40
CYP11B2 P19099 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
LRRK2 Q5S007 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL15931226 1.00 YTHDC1 (0.40) YTHDC1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL15931509 0.89 YTHDC1 (0.40) YTHDC1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL17314102 0.89 YTHDC1 (0.40) YTHDC1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL17314971 0.86 YTHDC1 (0.38) YTHDC1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL17314970 0.86 YTHDC1 (0.38) YTHDC1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL20105702 0.86 YTHDC1 (0.50) YTHDC1CYP11B2
SCHEMBL15921610 0.84 YTHDC1 (0.39) YTHDC1CYP11B2GABRPGABRDGABRA1
SCHEMBL15947545 0.83 YTHDC1 (0.37) YTHDC1CYP11B2
SCHEMBL17314945 0.83 YTHDC1 (0.41) YTHDC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15931214 0.83 YTHDC1 (0.41) YTHDC1MAPK13MAPK12MAPK11MAPK14

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
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 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 (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-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 YTHDC1 401/4885CYP11B2 3416/4885MAPK13 3268/4885

“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.