SCHEMBL10271397

SCHEMBL10271397

CCc1ncnc2sc(C)c(C)c12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.58
LIMK1 P53667 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAF1 P04049 2/20 0.55
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOTUM Q6P988 2/20 0.48
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
MRGPRX1 Q96LB2 3/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL6642198 0.77 LIMK1 (0.61) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL6911943 0.76 LIMK1 (0.66) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL6250372 0.74 ALDH1A1 (1.00) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL13165065 0.74 LMNA (0.55) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL1604779 0.73 LIMK1 (0.61) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL13644138 0.73 LIMK1 (0.61) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL1622168 0.73 LIMK1 (1.00) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL10220261 0.70 LIMK1 (0.58) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL13165061 0.70 SMN1; SMN2 (0.64) LMNAALDH1A1HPGDLIMK1L3MBTL1
SCHEMBL4572139 0.70 MRGPRX1 (0.43) LMNAALDH1A1HPGDSMN1; SMN2MEN1

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-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 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 (5 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885ALDH1A1 1082/4885HPGD 1570/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885ALDH1A1 1082/4885HPGD 1570/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885ALDH1A1 1082/4885HPGD 1570/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK LMNA 3898/4885ALDH1A1 4309/4885HPGD 3637/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 LMNA 4018/4885ALDH1A1 2640/4885HPGD 2309/4885

“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.