SCHEMBL60977

SCHEMBL60977

Cc1ccc(C#N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 2/20 0.46
CA1 P00915 1/20 0.45
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
AR P10275 5/20 0.42
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
BRCA1 P38398 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL29268863 0.84 AR (0.57) TDP1CYP3A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27588383 0.83 ALDH1A1 (0.39) ALOX15TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL249865 0.82 CYP3A4 (0.52) ALOX15TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL28967100 0.81 CYP3A4 (0.56) ALOX15TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2ARCYP2A6
SCHEMBL29038173 0.77 TDP1 (0.52) ALOX15TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL7289054 0.77 TDP1 (0.52) ALOX15TDP1CYP3A4SMN1; SMN2TP53
SCHEMBL2028221 0.76 KDM4E (0.55) TDP1CYP3A4SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL277588 0.76 TSHR (0.52) ALOX15TDP1TP53ALDH1A1HSD17B10
SCHEMBL5070146 0.76 MEN1 (0.48) ALOX15TDP1CYP3A4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176746-B Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2025-05-30 CN claimed
CN-119176746-A Method for preparing bisphenol A and heterocyclic compound by using waste PC 浙江大学 2024-12-24 CN claimed
CN-109232366-B Preparation method and application of 2-acyl-3-aminoindole compound 华中师范大学 2020-08-21 CN claimed
CN-106946800-B A kind of synthetic method of -2,4 (1H, 3H)-diketone of quinazoline and its derivative 华东师范大学 2019-11-15 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
CN-101805498-B Polylactic acid combination containing sulfonic acid compound and nitrogenous organic compound and preparation method thereof TORAY FIBER RES INST CN CO LTD 2012-08-15 CN claimed
CN-101921389-A Preparation method of polyactic acid composite containing mono-sulfoacid and nitrogenous organic compound TORAY FIBER RES INST CN CO LTD 2010-12-22 CN claimed
CN-101805498-A Polylactic acid combination containing sulfonic acid compound and nitrogenous organic compound and preparation method thereof TORAY FIBER RES INST CN CO LTD 2010-08-18 CN claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
CN-122036606-A Synthesis method of aminoacridine compound 南京工业大学 2026-05-15 CN disclosed
US-3992428-A REACTING UREA AND HEXAMETHYLDISILAZANE IN THE PRESENCE OF A NITROGEN CONTAINING SALT WACKER-CHEMIE GMBH (DT) 1976-11-16 US disclosed
US-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES ALOX15 227/4885TDP1 3288/4885CYP3A4 32/4885

“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.