SCHEMBL10264302

SCHEMBL10264302

Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(C#N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GNRHR P30968 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA5 P08648 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
SCHEMBL501548 0.91 GRIN1 (0.34) USP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL10204395 0.91 MEN1 (0.34) USP1ALDH1A1ATMKDM4EHPGD
SCHEMBL10204377 0.91 USP1 (0.34) USP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL10204401 0.90 SLC2A1 (0.34) USP1ALDH1A1ATMGRIN1GRIN2B
SCHEMBL501300 0.90 KDM4E (0.35) USP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL10264400 0.89 PRMT5 (0.31) USP1PRMT5WDR77GNRHR
SCHEMBL13485643 0.89 USP1 (0.33) USP1ALDH1A1GRIN1GRIN2BKDM4E
SCHEMBL10204379 0.89 ATM (0.32) USP1ALDH1A1ATMGRIN1GRIN2B
SCHEMBL501760 0.88 PARP1 (0.34) USP1ALDH1A1GRIN1GRIN2BKDM4E
SCHEMBL10264399 0.87 AKR1C3 (0.31) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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 (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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H USP1 4201/4885ALDH1A1 2535/4885MAPT 296/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H USP1 4189/4885ALDH1A1 2541/4885MAPT 293/4885

“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.