SCHEMBL621799

SCHEMBL621799

N#Cc1[c]c(C#N)ccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
ENPP2 Q13822 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL95993 0.84
SCHEMBL6735387 0.84
SCHEMBL5234253 0.84
SCHEMBL349742 0.84
SCHEMBL9203797 0.84
SCHEMBL16752414 0.79
SCHEMBL6611797 0.79 TSHR (0.36) TSHRALDH1A1KDM4ETRPA1
SCHEMBL6738746 0.79 IMPDH2 (0.32) ALDH1A1KDM4EGAA
SCHEMBL11504942 0.79 GLA (0.31)
SCHEMBL3863397 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807620-B2 Quinazolinone compounds and related compounds Plexium, Inc. (US) 2023-11-07 US claimed
CN-110372538-A The synthetic method of one kind 2,6- dichloro-3-fluorobenzonitrile 浙江林江化工股份有限公司 2019-10-25 CN claimed
CN-106146647-A DPP4 inhibitor modifies the derivant of GLP-1 analog 杭州阿德莱诺泰制药技术有限公司 2016-11-23 CN claimed
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN claimed
EP-2035420-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
WO-2007149873-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
US-20070299062-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US claimed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-20240239922-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-18 US disclosed
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
US-20240191003-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN 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 (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 3023/4885ALDH1A1 455/4885MAPT 843/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 TSHR 1447/4885ALDH1A1 888/4885MAPT 4575/4885
US-20070299062-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R TSHR 61/4885ALDH1A1 3013/4885MAPT 3565/4885
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION PPOX, ERCC1, ERCC5 TSHR 4858/4885ALDH1A1 1414/4885MAPT 255/4885
US-11807620-B2 Quinazolinone compounds and related compounds NQO2, COQ8A, PARK7 TSHR 4615/4885ALDH1A1 2127/4885MAPT 1760/4885

“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.