SCHEMBL172083

SCHEMBL172083

Cc1cnc(C#N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.43
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
UHRF1 Q96T88 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 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
SCHEMBL3107926 0.83 UHRF1 (0.54) EGLN2NOS3NOS1NOS2UHRF1
SCHEMBL30675575 0.80 GABRP (0.39) EGLN2UHRF1KDM4EHTTGABRP
SCHEMBL20679549 0.80 GABRP (0.39) EGLN2UHRF1KDM4EHTTGABRP
SCHEMBL1643568 0.80 NOS3 (0.44) EGLN2NOS3NOS1NOS2KDM4E
SCHEMBL24228131 0.77 EGLN2 (0.38) EGLN2NOS3NOS1NOS2KDM4E
SCHEMBL30030800 0.75 EGLN2 (0.37) EGLN2GABRPGABRDGABRA1GABRB1
SCHEMBL23458888 0.75 HTT (0.46) EGLN2UHRF1KDM4EHTTGABRP
SCHEMBL20362403 0.75 CHEK1 (0.40) EGLN2KDM4EGABRPGABRDGABRA1
SCHEMBL18036224 0.75 EGLN2 (0.37) EGLN2KDM4EHTTGABRPGABRD
SCHEMBL26971061 0.75 EGLN2 (0.37) EGLN2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
WO-2017125534-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 US disclosed
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 US disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 EP disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 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 (4 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-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC EGLN2 1446/4885NOS3 556/4885NOS1 1156/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC EGLN2 1228/4885NOS3 519/4885NOS1 1145/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG EGLN2 2835/4885NOS3 152/4885NOS1 233/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC EGLN2 1446/4885NOS3 556/4885NOS1 1156/4885

“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.