SCHEMBL5983773

SCHEMBL5983773

CCc1cc(O)n2ncnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
ENPP1 P22413 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2490912 0.87 MEN1 (0.52) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL8943896 0.84 ATM (0.45) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL19194076 0.83 MAPK1 (0.38) KDM1AALDH1A1MAPK1LMNACYP1A2
SCHEMBL8944199 0.83 GAA (0.45) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL5051039 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL10725249 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL10516376 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL8944210 0.82 GAA (0.47) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL8944077 0.82 GAA (0.47) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL8944026 0.82 GAA (0.47) ALDH1A1MAPK1LMNACYP1A2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
US-20170216295-A1 CCR9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
WO-2017000277-A1 SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
US-8889340-B2 Method for making a lithographic printing plate AGFA GRAPHICS, N.V. (BE) 2014-11-18 US disclosed
US-8889340-B2 Method for making a lithographic printing plate AGFA GRAPHICS, N.V. (BE) 2014-11-18 US disclosed
US-5587281-A TABULAR GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-24 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0443453-B1 Silver halide photographic emulsion and photographic light-sensitive material using the same FUJI PHOTO FILM CO LTD (JP) 1996-08-21 EP disclosed
EP-0697618-A1 Method for producting silver halide grain and silver halide emulsion using the grain FUJI PHOTO FILM CO., LTD. (JP) 1996-02-21 EP disclosed
US-5480716-A MULTILAYER ELEMENT WITH SUPPORT AND MAGNETIC LAYER WITH FERROMAGNETIC METALS FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed
US-5085981-A Gelatin-reactive acrylic binder and fine particles of silca; wear resistance; retouchability AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0443453-A1 Silver halide photographic emulsion and photographic light-sensitive material using the same FUJI PHOTO FILM CO., LTD. (JP) 1991-08-28 EP disclosed
US-5015567-A Sensitization In The Presence Of An Organic Thioether Or A Tetra-substituted Thiourea And A Triazolopyrimidine Stabilizer FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed
EP-0220458-A1 Herbicidal agents on the basis of triazolo pyrimidines BAYER AG (DE) 1987-05-06 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 (3 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D KDM1A 2373/4885ALDH1A1 1376/4885MAPK1 1272/4885
US-20170216295-A1 CCR9 ANTAGONIST COMPOUNDS CCR9, CCR1, CCR10 KDM1A 2641/4885ALDH1A1 1264/4885MAPK1 741/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D KDM1A 2373/4885ALDH1A1 1376/4885MAPK1 1272/4885

“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.