SCHEMBL8769029

SCHEMBL8769029

O=C(Nc1ccc2[nH]c(-c3ccc(OCCO)cc3)nc2c1)c1cnc(N2CCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CHEK2 O96017 4/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 1/20 0.44
SYK P43405 1/20 0.44
ACHE P22303 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HPSE Q9Y251 1/20 0.42
ABL1 P00519 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MCHR1 Q99705 1/20 0.42
TBK1 Q9UHD2 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
SCHEMBL8769070 0.85 HPSE (0.57) MAPTCHEK2SMN1; SMN2HPSEMMP2
SCHEMBL1664503 0.82 CHEK2 (0.67) MAPTCHEK2TP53SMN1; SMN2HPSE
SCHEMBL6126157 0.80 ATM (0.61) MAPTCHEK2TP53SMN1; SMN2HPSE
SCHEMBL6119642 0.80 MAPT (0.53) MAPTCHEK2TP53SMN1; SMN2HPSE
SCHEMBL8772210 0.79 SIRT2 (0.57) MAPTCHEK2TP53SMN1; SMN2ACHE
SCHEMBL8771834 0.79 SIRT2 (0.57) MAPTCHEK2TP53SMN1; SMN2ACHE
SCHEMBL6120706 0.79 MAPT (0.58) MAPTCHEK2TP53SMN1; SMN2HPSE
SCHEMBL8768198 0.77 HPSE (0.58) MAPTCHEK2TP53SMN1; SMN2HPSE
SCHEMBL8769468 0.77 ALDH1A1 (0.64) MAPTCHEK2SMN1; SMN2HPSEMCHR1
SCHEMBL8029820 0.77 ALDH1A1 (0.64) MAPTCHEK2SMN1; SMN2HPSEMCHR1

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 12 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-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-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-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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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 MAPT 4622/4885CHEK2 4422/4885TP53 828/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885CHEK2 3203/4885TP53 309/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885CHEK2 3203/4885TP53 309/4885

“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.