SCHEMBL9211592

SCHEMBL9211592

O=c1[nH]cnc2c1CCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK1 O14757 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SRC P12931 4/20 0.41
GAA P10253 1/20 0.41
UHRF1 Q96T88 1/20 0.40
ALDH1A1 P00352 2/20 0.36
EGFR P00533 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
OR51E2 Q9H255 1/20 0.35
NNMT P40261 1/20 0.34
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL14309113 0.89 SRC (0.42) NPSR1KMT2ACHEK1TSHRHTT
SCHEMBL2045175 0.72
SCHEMBL30346383 0.72 SRC (0.49) NPSR1KMT2ACHEK1TSHRHTT
SCHEMBL3542410 0.71 NPSR1 (0.49) NPSR1KMT2ACHEK1TSHRHTT
SCHEMBL2624085 0.71 TSHR (0.49) NPSR1KMT2ACHEK1TSHRHTT
Hydrochloric Acid SCHEMBL3933886 0.71 UHRF1 (0.35) UHRF1OR51E2NNMTLMNA
SCHEMBL13577565 0.70 ALDH1A1 (0.36) NPSR1KMT2ACHEK1TSHRHTT
SCHEMBL30538678 0.70 UHRF1 (0.37) UHRF1NNMT
SCHEMBL1747901 0.70 UHRF1 (0.37) UHRF1NNMT
SCHEMBL12349970 0.69 GAA (0.50) NPSR1KMT2ACHEK1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP claimed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US claimed
EP-0255228-A1 4(3H)-Oxo-5,6,7,8,-Tetrahydropyrido-(2,3-d)Pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-02-03 EP claimed
JP-63033379-A None JP disclosed
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
EP-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP disclosed
CN-1014895-B Process for preparation of 4(3H)-oxo-5,6,7,8-tetrahydropyrido-[2,3-d] pyrimidine derivatives UNIV PRINCETON (US) 1991-11-27 CN disclosed
CN-1014895-B Process for preparation of 4(3H)-oxo-5,6,7,8-tetrahydropyrido-[2,3-d] pyrimidine derivatives UNIV PRINCETON (US) 1991-11-27 CN disclosed
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP disclosed
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP disclosed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US disclosed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US disclosed
US-4831037-A 4 (3H)-oxo-5,6,7,8-tetrahydropyrido-(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-16 US disclosed
JP-S6333379-A 4(3H)-OXO-5,6,7,8-TETRAHYDROPYRIDO(2,3-D)PYRIMIDINE DERIVATIVE UNIV PRINCETON 1988-02-13 JP disclosed
EP-0255228-A1 4(3H)-Oxo-5,6,7,8,-Tetrahydropyrido-(2,3-d)Pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-02-03 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 (1 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-20080139586-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 NPSR1 4514/4885KMT2A 454/4885CHEK1 167/4885

“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.