SCHEMBL5725293

SCHEMBL5725293

CC1CN(c2ccc([N+](=O)[O-])cc2)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
ALDH1A1 P00352 6/20 0.64
LMNA P02545 2/20 0.64
HSD11B1 P28845 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SIRT6 Q8N6T7 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6073501 1.00 MAPT (0.64) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL29580244 0.86 MAPT (0.62) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL22471537 0.86 MAPT (0.62) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL5782039 0.86 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL18186405 0.84 MAPT (0.60) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL17958739 0.84 MAPT (0.67) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL17630358 0.84 MAPT (0.67) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL5467063 0.84 MAPT (0.67) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL18436754 0.83 GPR119 (0.56) MAPTALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL12004775 0.82 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
CN-1395578-A Byrido [2,3-d] pyrimidine-2, 7-diamine kinase inhibitors WARNER LAMBERT CO (US) 2003-02-05 CN disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (2 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 MAPT 3466/4885ALDH1A1 1035/4885LMNA 2405/4885
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 MAPT 4678/4885ALDH1A1 4111/4885LMNA 2415/4885

“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.