SCHEMBL1104805

SCHEMBL1104805

Cc1cnc2ccncc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
LATS1 O95835 8/20 0.36
LATS2 Q9NRM7 7/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.35
NCOA1 Q15788 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
RPS6KA5 O75582 1/20 0.33
USP2 O75604 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ABL1 P00519 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
SCHEMBL2629403 0.91 HTT (0.39) ADORA3LATS1LATS2ATMHTT
SCHEMBL16843316 0.75 PDE2A (0.40) LATS1LATS2ATMHTTNCOA1
SCHEMBL28571 0.75 PDE10A (0.52) ATMHTTKDM4EALDH1A1CCNB2
SCHEMBL22479748 0.74 ADORA3 (0.37) ADORA3LATS1LATS2HTTNCOA1
SCHEMBL13668633 0.74 PDE10A (0.42) ADORA3LATS1LATS2RPS6KA5KDM4C
SCHEMBL12338377 0.74 KDM4C (0.38) ADORA3LATS1LATS2ATMHTT
SCHEMBL13666782 0.74 LATS1 (0.36) ADORA3LATS1LATS2
Water SCHEMBL16742371 0.73 PDE10A (0.50) ATMHTTKDM4EALDH1A1CCNB2
Hydrochloric Acid SCHEMBL29004253 0.73 PDE10A (0.50) ATMHTTKDM4EALDH1A1CCNB2
Ethane SCHEMBL11413846 0.73 PDE10A (0.50) ATMHTTKDM4EALDH1A1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
EP-2674418-B1 BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO (JP) 2021-01-06 EP disclosed
US-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
US-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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 (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-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, DDC ADORA3 1236/4885LATS1 677/4885LATS2 478/4885
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX ADORA3 4739/4885LATS1 63/4885LATS2 60/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM ADORA3 4747/4885LATS1 51/4885LATS2 50/4885
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR ADORA3 725/4885LATS1 3238/4885LATS2 3165/4885
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 ADORA3 3058/4885LATS1 305/4885LATS2 257/4885

“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.