SCHEMBL6016426

SCHEMBL6016426

O=C(O)c1cnc(N2CCCCC2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
MAPK8 P45983 1/20 0.51
CDC7 O00311 1/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.46
CASP1 P29466 2/20 0.46
TSHR P16473 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AKT1 P31749 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
Hydrochloric Acid SCHEMBL3866277 0.99 PTPN11 (0.52) PTPN11MEN1KMT2AL3MBTL1HPGD
SCHEMBL6016519 0.86 PTPN11 (0.57) PTPN11MEN1KMT2AHPGDLMNA
SCHEMBL6016473 0.86 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1HPGDLMNA
SCHEMBL6016398 0.86 ALDH1A1 (0.55) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL8946719 0.83 ALDH1A1 (0.53) PTPN11MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6016347 0.82 ALDH1A1 (0.54) PTPN11MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8946447 0.82 ALDH1A1 (0.54) PTPN11MEN1KMT2AL3MBTL1LMNA
SCHEMBL8267825 0.79 PTPN11 (0.49) PTPN11MEN1KMT2AL3MBTL1HPGD
SCHEMBL6016377 0.78 PTPN11 (0.47) PTPN11MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6016374 0.78 PTPN11 (0.47) PTPN11MEN1KMT2ALMNASMN1; SMN2

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-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 US disclosed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 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 (1 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-20070010455-A1 Hepatitis C virus inhibitors HAVCR2, VIP, ENPEP PTPN11 1066/4885MEN1 4771/4885KMT2A 4664/4885

“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.