SCHEMBL1176596

SCHEMBL1176596

Cc1ccc(-c2nc(C3CC3)nc(Cl)c2C#N)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.42
▸ ALDH1A1 P00352 12/20 0.42
▸ MAPT P10636 9/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ PDE10A Q9Y233 4/20 0.41
▸ HPGD P15428 10/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ PKM P14618 7/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ GAA P10253 6/20 0.40
▸ ALOX12 P18054 5/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ GLA P06280 4/20 0.40
▸ USP2 O75604 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 4/20 0.40
▸ CASP1 P29466 3/20 0.40
▸ CASP7 P55210 2/20 0.40

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
SCHEMBL1176400 0.85 KDM4E (0.40) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL1176174 0.75 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL25390387 0.73 PDE10A (0.54) KDM4EALDH1A1MAPK1PDE10AHPGD
SCHEMBL25394224 0.73 PDE10A (0.55) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL4906062 0.71 KMT2A (0.39) ALDH1A1PDE10AHPGDKMT2AMEN1
SCHEMBL22845544 0.69 KDM4E (0.53) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL21722540 0.65 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL22579091 0.65 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6443444 0.65 KDM4E (0.43) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6444835 0.63 CYP1A2 (0.54) KDM4EALDH1A1MAPTMAPK1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 — — CN disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 — — US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 — — US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 — — US disclosed
EP-2260044-A2 THIENOPYRIMIDINES Merck Patent GmbH (DE) 2010-12-15 — — EP disclosed
WO-2009124653-A2 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2009-10-15 — — 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-20110028472-A1 THIENOPYRIMIDINES TGFBR1, TYMP, TGFBR2 KDM4E 2266/4885ALDH1A1 690/4885MAPT 3766/4885

“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.

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