SCHEMBL13629327

SCHEMBL13629327

C=Cc1ncc(-c2ccccc2)nc1C(=O)c1cc(OC)ccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.45
PRKDC P78527 2/20 0.42
ATR Q13535 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TACR3 P29371 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABL1 P00519 1/20 0.39
YES1 P07947 1/20 0.39
PIM1 P11309 1/20 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
SCHEMBL13859969 0.94 PLA2G2A (0.47) PLA2G2APRKDCATRNPC1RAB9A
SCHEMBL13629341 0.76 IKBKB (0.46) PLA2G2APRKDCATRNPC1RAB9A
SCHEMBL7235657 0.72 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13629325 0.71 IKBKB (0.45) PRKDCATRCYP3A4CYP1A2
SCHEMBL29386544 0.68 SMN1; SMN2 (0.68) PLA2G2ANPC1RAB9AMEN1KMT2A
SCHEMBL10225874 0.68 SMN1; SMN2 (0.68) PLA2G2ANPC1RAB9AMEN1KMT2A
SCHEMBL6978626 0.68 KDM4E (0.68) PLA2G2ATACR3MEN1KMT2ASMN1; SMN2
SCHEMBL548189 0.68 TRIM24 (0.61) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL29955976 0.68 TRIM24 (0.61) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL28450186 0.67 SMN1; SMN2 (0.54) PLA2G2ANPC1RAB9ATACR3MEN1

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
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET PLA2G2A 4478/4885PRKDC 83/4885ATR 907/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET PLA2G2A 4141/4885PRKDC 55/4885ATR 1059/4885

“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.