SCHEMBL11323614

SCHEMBL11323614

COc1ccc(-n2nc(C)cc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
CYP1A2 P05177 3/20 0.64
CYP2C19 P33261 3/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 4/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 4/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
PKM P14618 2/20 0.50
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49

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
SCHEMBL18161206 0.88 LMNA (0.78) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL4055792 0.83 LMNA (0.71) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL11653005 0.83 LMNA (0.71) LMNACYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL6174608 0.82 LMNA (0.70) LMNACYP1A2CYP2C19SMN1; SMN2CYP3A4
SCHEMBL11331468 0.82 LMNA (0.69) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL224624 0.82 CYP1A2 (0.72) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL8864119 0.82 CYP1A2 (0.72) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL14554235 0.81 LMNA (0.69) LMNASMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL14353755 0.81 LMNA (0.68) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL14353361 0.81 LMNA (0.68) LMNACYP1A2CYP2C19MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 WO disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 WO disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 US disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4234594-A Pyrazolyl amino imidazolines as antihypertensive agents ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4226773-A Pyrazolyl amino imidazolines as diuretic agents ABBOTT LABORATORIES (US) 1980-10-07 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed
US-4036825-A DYES FOR CELLULOSE OR NITROGEN-CONTAINING FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4017479-A Cationic indazole-azo-5-amino pyrazole dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 LMNA 3725/4885CYP1A2 2328/4885CYP2C19 3447/4885
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 LMNA 3278/4885CYP1A2 4134/4885CYP2C19 4372/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 LMNA 3067/4885CYP1A2 3730/4885CYP2C19 4622/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 LMNA 2550/4885CYP1A2 2643/4885CYP2C19 1519/4885

“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.