SCHEMBL197918

SCHEMBL197918

Cc1cc(C#N)cc(C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.58
ALB P02768 2/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
BRD4 O60885 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
UPP1 Q16831 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL27755117 0.88 TTR (0.52) TTRALBMEN1KMT2ACA2
SCHEMBL24193570 0.86 TTR (0.83) TTRALBMEN1KMT2ACA2
SCHEMBL29451006 0.84 TTR (0.48) TTRALBMEN1KMT2ACA2
SCHEMBL20973292 0.84 TTR (0.72) TTRALBMEN1KMT2ACA2
SCHEMBL12594013 0.84 TTR (0.48) TTRALBMEN1KMT2ACA2
SCHEMBL1733883 0.84 KDM4E (0.54) TTRALBMEN1KMT2ACA2
SCHEMBL1175832 0.84 TTR (0.48) TTRALBMEN1KMT2ACA2
SCHEMBL3659544 0.83 TTR (0.52) TTRALBMEN1KMT2ACA2
SCHEMBL30842649 0.83 TTR (0.52) TTRALBMEN1KMT2ACA2
SCHEMBL1175107 0.81 EGFR (0.54) TTRALBMEN1KMT2ACA2

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 663 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010902-A Carbonyl substituted pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2026-05-12 CN claimed
CN-119306712-A Diaryl pyrimidine derivative containing condensed heterocycle and preparation method and application thereof 山东大学 2025-01-14 CN claimed
CN-114853781-B HIV-1 reverse transcriptase targeted covalent inhibitor and preparation method and application thereof 山东大学苏州研究院 2023-09-08 CN claimed
CN-113720926-B Method for detecting impurity content in itraconazole intermediate 1 浙江致新医药科技有限公司 2023-05-09 CN claimed
CN-114853781-A HIV-1 reverse transcriptase targeted covalent inhibitor and preparation method and application thereof 山东大学苏州研究院 2022-08-05 CN claimed
CN-113234027-B 4, 6-bis (aryloxy) pyrimidine derivative and synthesis method and application thereof 山东大学 2022-06-03 CN claimed
CN-112028836-B Diarylpyrimidine derivative containing six-membered nitrogen heterocycle and preparation method and application thereof 山东大学 2021-12-07 CN claimed
CN-113720926-A Method for detecting impurity content in etravirine intermediate 1 浙江致新医药科技有限公司 2021-11-30 CN claimed
CN-113651799-A Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2021-11-16 CN claimed
CN-111187222-B Substituted pyrimidine derivative and preparation method and application thereof 山东大学 2021-09-24 CN claimed
US-20130035485-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF KRIZMANIC IRENA (HR) 2013-02-07 US claimed
WO-2012170647-A1 PROCESS FOR THE PREPARATION OF ETRAVIRINE AND INTERMEDIATES IN THE SYNTHESIS THEREOF ASSIA CHEMICAL INDUSTRIEW LTD. (IL) 2012-12-13 WO claimed
WO-2012147104-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2012-11-01 WO claimed
US-8153790-B2 Process for the preparation and purification of etravirine and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-04-10 US claimed
WO-2012001695-A1 A PROCESS FOR ETRA VIRINE INTERMEDIATE AND POLYMORPHS OF ETRAVIRINE HETERO RESEARCH FOUNDATION (IN) 2012-01-05 WO claimed
US-20110275812-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-11-10 US claimed
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR GURJAR MUKUND KESHAV 2011-08-11 US claimed
EP-2342186-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Emcure Pharmaceuticals Limited (IN) 2011-07-13 EP claimed
WO-2011017079-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-02-10 WO claimed
WO-2010150279-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR EMCURE PHARMACEUTICALS LIMITED (IN) 2010-12-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110275812-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF ALKBH1, ALKBH5, ALKBH3 TTR 2632/4885ALB 3383/4885MEN1 4558/4885
US-20130035485-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF ETRAVIRINE AND INTERMEDIATES THEREOF ALKBH5, ALKBH1, ELOB TTR 2115/4885ALB 3952/4885MEN1 4461/4885
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR TYMP, DPYD, POLR2H TTR 1442/4885ALB 3979/4885MEN1 4403/4885

“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.