Sugi Predict

Sugi Predict / Compounds / SCHEMBL558564

SCHEMBL558564

SCHEMBL558564

Nc1cc(-n2cccn2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ GRM5 P41594 8/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ SLC34A1 Q06495 1/20 0.39
▸ TDO2 P48775 1/20 0.39

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
SCHEMBL9521570 0.86 SMN1; SMN2 (0.67) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL27681220 0.80 GRM5 (0.56) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL14970141 0.78 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL558521 0.78 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL31207969 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL28051814 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL2715150 0.74 GRM5 (0.46) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL29197551 0.74 ALDH1A1 (0.44) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL21348216 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTNPC1RAB9AGLA
SCHEMBL18809728 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTNPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 — — EP claimed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 — — US claimed
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — US disclosed
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 — — US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 — — US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 — — US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 — — EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 — — US disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 — — US disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 — — CN disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 — — WO disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
EP-0573575-A1 SUBSTITUTED PYRIDINE COMPOUNDS ROHM AND HAAS COMPANY (US) 1993-12-15 — — EP disclosed
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 — — EP disclosed
WO-1992014711-A1 SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1992-09-03 — — WO disclosed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 — — US disclosed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 — — 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 (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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 SMN1; SMN2 813/4885HTT 714/4885NPC1 896/4885
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS SMN1; SMN2 1297/4885HTT 1827/4885NPC1 324/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SMN1; SMN2 1297/4885HTT 1827/4885NPC1 324/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SMN1; SMN2 1297/4885HTT 1827/4885NPC1 324/4885

“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.