SCHEMBL13836409

SCHEMBL13836409

COc1ccc(-c2ccc3nc(-c4cc(-c5ccccc5C(N)=O)cc5[nH]ccc45)[nH]c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.48
PARP1 P09874 5/20 0.46
PLA2G2A P14555 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS2 P35354 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
BRD1 O95696 1/20 0.42

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
SCHEMBL13836574 0.89 CHEK2 (0.44) CHEK2PARP1TRPV1
SCHEMBL13836613 0.85 PARP1 (0.49) CHEK2PARP1TRPV1
SCHEMBL13836408 0.79 COMT (0.54) CHEK2NPC1RAB9ASMN1; SMN2
SCHEMBL28321400 0.70 TRPV1 (0.51) CHEK2PARP1TRPV1KDM4ENPC1
SCHEMBL4963646 0.69 BCAT2 (0.65) PARP1PLA2G2AALOX15PTGS2KDM4E
SCHEMBL8603235 0.68 SLC2A1 (0.76) CHEK2KDM4ENPC1ALDH1A1TP53
SCHEMBL30369750 0.68 ALOX5AP (0.48) PARP1NPC1ALDH1A1RAB9ABRD4
SCHEMBL15288204 0.67 BTK (0.58) CHEK2PARP1PLA2G2AALOX15PTGS2
SCHEMBL13836573 0.67 MMP2 (0.52) CHEK2KDM4ENPC1RAB9A
SCHEMBL28322469 0.67 NPC1 (0.62) CHEK2PARP1NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CHEK2 4422/4885PARP1 4329/4885PLA2G2A 2734/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885PARP1 2956/4885PLA2G2A 2555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885PARP1 2956/4885PLA2G2A 2555/4885

“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.