SCHEMBL15212007

SCHEMBL15212007

CC1(CCO)Oc2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAPN9 O14815 1/20 0.37
CASP3 P42574 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
PGR P06401 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP8 P22894 1/20 0.35

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
SCHEMBL8800996 0.80 ALPL (0.45) ALPLALDH1A1KDM4ESMN1; SMN2AKR1B1
SCHEMBL15212224 0.80 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL56146 0.79 ALDH1A1 (0.51) ALPLALDH1A1KDM4ESMN1; SMN2AKR1B1
SCHEMBL8634618 0.76 NPC1 (0.46) ALPLALDH1A1KDM4ESMN1; SMN2AKR1B1
SCHEMBL3715441 0.75 ALPL (0.48) ALPLALDH1A1AKR1B1CYP3A4CYP2C9
SCHEMBL13007730 0.74 ALPL (0.47) ALPLALDH1A1AKR1B1CYP3A4CYP2C9
SCHEMBL2104226 0.73 TRPV1 (0.47) ALPLALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8801637 0.72 ALPL (0.41) ALPLALDH1A1KDM4ESMN1; SMN2AKR1B1
SCHEMBL8799897 0.72 ALPL (0.45) ALPLALDH1A1AKR1B1CYP3A4CYP2C9
SCHEMBL13253436 0.72 ALPL (0.48) ALPLALDH1A1AKR1B1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817306-B1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS MERCK PATENT GMBH (DE) 2015-09-16 EP disclosed
EP-2817306-B1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS MERCK PATENT GMBH (DE) 2015-09-16 EP disclosed
US-9073944-B2 Cyclic diaminopyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-9073944-B2 Cyclic diaminopyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-9073944-B2 Cyclic diaminopyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
EP-2817306-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP disclosed
CN-104254531-A CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH 2014-12-31 CN disclosed
WO-2013126132-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
WO-2013126132-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 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-20150025066-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES SYK, BTK, LYN ALPL 3107/4885ALDH1A1 513/4885KDM4E 1067/4885

“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.