SCHEMBL169677

SCHEMBL169677

C#Cc1ccc(C#N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
EGLN2 Q96KS0 4/20 0.38
CHEK1 O14757 1/20 0.37
HDAC8 Q9BY41 1/20 0.34
CYP19A1 P11511 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL1026572 0.84 ALDH1A1 (0.48) GRM5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL24435938 0.84 GRM5 (0.51) GRM5EGLN2HDAC8PARP1
SCHEMBL29598220 0.84 GRM5 (0.51) GRM5EGLN2HDAC8PARP1
SCHEMBL20270120 0.83 GRM5 (0.47) GRM5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL450833 0.78 KDM4E (0.39) KDM4EALDH1A1L3MBTL1LMNAGAA
SCHEMBL22031497 0.78 GRM5 (0.40) GRM5EGLN2HDAC8PARP1
SCHEMBL16116339 0.75 KDM4E (0.36) GRM5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL9024185 0.72 CYP11B2 (0.53) EGLN2CHEK1GABRA1GABRG2GABRB3
SCHEMBL14061390 0.72 GRM5 (0.43) GRM5CHEK1
SCHEMBL15903117 0.72 GRM5 (0.36) GRM5KDM4EALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
EP-4382527-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2024-06-12 EP disclosed
US-11976072-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
EP-4359415-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
CN-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 CN disclosed
US-11829021-B2 Polymer dispersed liquid crystal display device comprising a polymer network having a helical structure and method for manufacturing the same Sharp Display Technology Corporation (JP) 2023-11-28 US disclosed
US-20230205010-A1 LIQUID CRYSTAL DISPLAY ELEMENT Sharp Display Technology Corporation (JP) 2023-06-29 US disclosed
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-03-02 US disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
US-20230024383-A1 LIQUID CRYSTAL DISPLAY DEVICE Sharp Display Technology Corporation (JP) 2023-01-26 US disclosed
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 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 (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-20240382465-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF FAR1, ACAD11, ACOX1 GRM5 4786/4885KDM4E 1945/4885ALDH1A1 271/4885
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK GRM5 1580/4885KDM4E 1476/4885ALDH1A1 3992/4885
US-11976072-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK GRM5 2354/4885KDM4E 1748/4885ALDH1A1 4095/4885

“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.