SCHEMBL8512103

SCHEMBL8512103

CC(C)Oc1ccc([C@H](N)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 2/20 0.40
MITF O75030 2/20 0.40
ACACB O00763 3/20 0.40
MAPT P10636 1/20 0.40
NLRP1 Q9C000 1/20 0.40
ACACA Q13085 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 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
SCHEMBL8512107 1.00 PARP10 (0.47) PARP10POLBKMT2ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL16564090 0.82 SLC6A4 (0.50) PARP10POLBKMT2ACYP1A2CYP2D6
SCHEMBL11663313 0.82 PARP10 (0.44) PARP10POLBKMT2ACYP1A2CYP2D6
SCHEMBL8028732 0.81 ALOX15 (0.41) POLBKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL12497544 0.81 ALOX15 (0.41) POLBKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL1439844 0.80 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL20738465 0.80 ABCB11 (0.53) PARP10POLBKMT2ACYP1A2CYP2D6
SCHEMBL1439841 0.80 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL1554077 0.80 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7595427 0.78 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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 (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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 PARP10 356/4885POLB 1496/4885KMT2A 308/4885

“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.