SCHEMBL13836613

SCHEMBL13836613

NC(=O)c1ccccc1-c1cc(-c2nc3ccc(-c4cccc(O)c4)cc3[nH]2)c2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
JAK2 O60674 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
JAK1 P23458 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
TYK2 P29597 1/20 0.43
CCND3 P30281 1/20 0.43
JAK3 P52333 1/20 0.43
SCD O00767 1/20 0.43
CHEK2 O96017 11/20 0.43
TRPV1 Q8NER1 1/20 0.42
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41

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 0.93 CHEK2 (0.44) PARP1SCDCHEK2TRPV1F2
SCHEMBL13836409 0.85 CHEK2 (0.48) PARP1CHEK2TRPV1
SCHEMBL13836612 0.78 MMP2 (0.52) CHEK2
SCHEMBL28805587 0.76 KDM4E (0.40) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL13836573 0.70 MMP2 (0.52) CHEK2
SCHEMBL28321400 0.69 TRPV1 (0.51) PARP1CHEK2TRPV1
SCHEMBL1789847 0.69 BCAT2 (0.67) PARP1
SCHEMBL30369750 0.69 ALOX5AP (0.48) PARP1
SCHEMBL28322469 0.68 NPC1 (0.62) PARP1CHEK2
SCHEMBL3662654 0.68 KDM4E (0.59) PARP1CHEK2

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 PARP1 4329/4885JAK2 136/4885CDK4 2006/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PARP1 2956/4885JAK2 52/4885CDK4 892/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PARP1 2956/4885JAK2 52/4885CDK4 892/4885

“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.