SCHEMBL8775930

SCHEMBL8775930

O=C(O)CNC(=O)Cn1ccc2cc(NC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.42
TNIK Q9UKE5 1/20 0.39
EPHX2 P34913 3/20 0.39
DHODH Q02127 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
ALOX5 P09917 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL1664054 0.92 TNIK (0.42) PIN1TNIKEPHX2DHODHMAPT
SCHEMBL1666719 0.91 MAPT (0.39) PIN1TNIKEPHX2MAPTALDH1A1
SCHEMBL6126370 0.90 DHODH (0.39) PIN1TNIKEPHX2DHODHMAPT
SCHEMBL1665973 0.89 MEN1 (0.40) TNIKEPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL1665021 0.88 ALDH1A1 (0.41) TNIKEPHX2MAPTALDH1A1USP2
SCHEMBL1665971 0.86 JAK2 (0.41) TNIKMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1665019 0.85 TNIK (0.41) TNIKEPHX2DHODHMAPTALDH1A1
SCHEMBL1664864 0.85 EPHX2 (0.49) PIN1TNIKEPHX2DHODHMAPT
SCHEMBL1664697 0.84 MAPT (0.41) TNIKEPHX2MAPTALDH1A1LMNA
SCHEMBL1665099 0.82 LMNA (0.47) TNIKMAPTALDH1A1USP2LMNA

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 7 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
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (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 PIN1 3934/4885TNIK 4121/4885EPHX2 1184/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PIN1 4477/4885TNIK 2914/4885EPHX2 3554/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF PIN1 4477/4885TNIK 2914/4885EPHX2 3554/4885

“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.