SCHEMBL10249155

SCHEMBL10249155

Cc1cnc2c(c1)nc(-c1ccncc1SCCC#N)n2C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
KMT2A Q03164 3/20 0.36
NMT1 P30419 4/20 0.34
MEN1 O00255 1/20 0.34
PDE10A Q9Y233 2/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
LMNA P02545 2/20 0.32
NOD2 Q9HC29 1/20 0.32
NMT2 O60551 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL10249282 0.89 TSHR (0.36) KMT2AMEN1PDE10AAKT1AKT2
SCHEMBL10284739 0.87 POLB (0.43) HTTKMT2ANMT1MEN1PDE10A
SCHEMBL10249014 0.87 PDE10A (0.35) PDE10AAKT1AKT2LMNASMN1; SMN2
SCHEMBL10249293 0.86 AKT1 (0.36) PDE10AAKT1AKT2SMN1; SMN2POLB
SCHEMBL10249146 0.85 HASPIN (0.35) HTTKMT2AMEN1PDE10AAKT1
SCHEMBL10248971 0.85 PDE10A (0.36) PDE10AAKT1AKT2LMNASMN1; SMN2
SCHEMBL10249153 0.84 SMN1; SMN2 (0.36) PDE10AAKT1AKT2LMNASMN1; SMN2
SCHEMBL10249144 0.84 SMN1; SMN2 (0.38) HTTKMT2ANMT1MEN1LMNA
SCHEMBL10252628 0.84 PDE10A (0.35) KMT2AMEN1PDE10AAKT1AKT2
SCHEMBL10249048 0.83 CA12 (0.36) PDE10AAKT1AKT2SMN1; SMN2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HTT 582/4885KMT2A 1877/4885NMT1 3568/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HTT 582/4885KMT2A 1877/4885NMT1 3568/4885

“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.