SCHEMBL8768614

SCHEMBL8768614

N#Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nc(-c6ccc(N(CCO)CCO)cc6)[nH]c5c4)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.49
HPSE Q9Y251 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
PRSS12 P56730 1/20 0.47
KDR P35968 2/20 0.47
MLLT1 Q03111 1/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
MMP13 P45452 4/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8770006 1.00 CHEK2 (0.49) CHEK2HPSEHDAC6PRSS12KDR
SCHEMBL1664708 0.93 HPSE (0.55) CHEK2HPSEHDAC6PRSS12KDR
SCHEMBL8768840 0.89 CHEK2 (0.59) CHEK2HPSEHDAC6PRSS12KDR
SCHEMBL1665616 0.88 CHEK2 (0.58) CHEK2HPSEHDAC6KDRMAPT
SCHEMBL8770744 0.88 CHEK2 (0.58) CHEK2HPSEHDAC6KDRMAPT
SCHEMBL8772113 0.86 HPSE (0.58) CHEK2HPSEPRSS12MMP2MMP9
SCHEMBL8770502 0.86 CHEK2 (0.60) CHEK2HDAC6PRSS12KDRMAPT
SCHEMBL1664582 0.86 CHEK2 (0.60) CHEK2HDAC6PRSS12KDRMAPT
SCHEMBL8770496 0.83 HPSE (0.61) CHEK2HPSEPRSS12MMP2MMP9
SCHEMBL1664731 0.83 HPSE (0.54) CHEK2HPSEMMP2MMP9MMP8

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-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

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 4422/4885HPSE 354/4885HDAC6 3930/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885HPSE 635/4885HDAC6 3025/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CHEK2 3203/4885HPSE 635/4885HDAC6 3025/4885

“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.