SCHEMBL4407148

SCHEMBL4407148

Cc1cnc2c(c1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.41
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
MAP4K1 Q92918 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ASIC3 Q9UHC3 2/20 0.36
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL29639953 1.00 PNMT (0.41) PNMTCYP3A4POLBSMN1; SMN2HTR2C
Hydrochloric Acid SCHEMBL6608089 0.98 PNMT (0.40) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL20330372 0.85 HTR2C (0.41) PNMTHTR2CHTR2BDRD2DRD1
SCHEMBL8260982 0.82 DRD2 (0.35) DRD2DRD1
SCHEMBL722943 0.78 PNMT (0.50) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL14637150 0.78 HTR2C (0.40) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL13226202 0.78 MB (0.40) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL694665 0.78 PNMT (0.50) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL5457714 0.78 CYP3A4 (0.40) PNMTCYP3A4POLBSMN1; SMN2HTR2C
SCHEMBL29883454 0.78 PNMT (0.50) PNMTCYP3A4POLBSMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP claimed
US-20250002507-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-01-02 US disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
WO-2023064587-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2023064584-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
EP-1453836-B1 BICYCLIC [1,2,4] -TRIAZOLE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-03-28 EP disclosed
US-6916811-B2 Adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2005-07-12 US disclosed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
EP-1448565-A1 ADENOSINE A?2a? RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2004-08-25 EP disclosed
US-20030212059-A1 Adenosine A2a receptor antagonists SCHERING CORPORATION 2003-11-13 US disclosed
WO-2003048165-A1 ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-06-12 WO disclosed
WO-2003048165-A1 ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-06-12 WO disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP 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-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 PNMT 1328/4885CYP3A4 2981/4885POLB 2793/4885
US-20250002507-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM4, CHRM1, CHRM2 PNMT 523/4885CYP3A4 1019/4885POLB 3224/4885
US-20030212059-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 PNMT 1046/4885CYP3A4 1103/4885POLB 3866/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PNMT 3139/4885CYP3A4 3434/4885POLB 3294/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A PNMT 3139/4885CYP3A4 3434/4885POLB 3294/4885

“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.