SCHEMBL27491

SCHEMBL27491

N#Cc1c[c]cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
VCAM1 P19320 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
ENPP2 Q13822 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MMP3 P08254 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 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
SCHEMBL16955503 0.87 TSHR (0.31) TSHRTTRALBMEN1KMT2A
SCHEMBL27739 0.83
SCHEMBL1978513 0.83 TTR (0.32) TTRALBCYP2A6ALDH1A1
SCHEMBL16954619 0.81
SCHEMBL1978751 0.81
SCHEMBL352200 0.81
SCHEMBL16953840 0.81
SCHEMBL16950987 0.81 FFAR4 (0.32) TTRALBCYP2A6ALDH1A1
SCHEMBL3335656 0.79 LOXL2 (0.35) CYP2A6LOXL2
SCHEMBL60145 0.78 TTR (0.50) TSHRTTRALBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 EP claimed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US claimed
US-20230295162-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY SEMMELWEIS EGYETEM (HU) 2023-09-21 US claimed
CN-116437925-A Synthesis of novel elmidone derivatives and evaluation of anticancer activity thereof 厄特沃什罗兰科技大学 2023-07-14 CN claimed
EP-4192467-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY Eötvös Loránd Tudományegyetem (HU) 2023-06-14 EP claimed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US claimed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 CN claimed
EP-4146643-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2023-03-15 EP claimed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 CN claimed
EP-4096657-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP claimed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO claimed
US-6410166-B1 Organic electroluminescence device doping device and organic electroluminescence device FUTABA CORPORATION (JP) 2002-06-25 US claimed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US claimed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 WO claimed
EP-0376883-B1 ENANTIOMERIC SILANES, MODIFIED SUPPORT AND ITS USE CIBA-GEIGY AG (CH) 1993-04-07 EP claimed
US-4997966-A Chromatography, chemical condensation CIBA-GEIGY CORPORATION (US) 1991-03-05 US claimed
EP-0376883-A1 Enantiomeric silanes, modified support and its use CIBA-GEIGY AG (CH) 1990-07-04 EP claimed
US-4073783-A PENICILLINS PFIZER INC. (US) 1978-02-14 US 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 (5 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 TSHR 3023/4885TTR 1133/4885ALB 2030/4885
US-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB TSHR 4351/4885TTR 3059/4885ALB 4644/4885
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES CYP4F3, CYP4X1, GLRX3 TSHR 139/4885TTR 2302/4885ALB 4313/4885
US-20230295162-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY IMPA1, REN, IGF1R TSHR 1686/4885TTR 3033/4885ALB 4363/4885
US-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 TSHR 2816/4885TTR 371/4885ALB 3329/4885

“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.