SCHEMBL10314218

SCHEMBL10314218

COc1c(C(=O)NCC(C)(C)CN)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36

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 SCHEMBL1057431 0.99 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL4288332 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL1061171 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL1062065 0.91 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL10314221 0.90 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL13708862 0.88 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL1063352 0.88 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL10314216 0.88 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1061570 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1
SCHEMBL10314217 0.86 TP53 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3564/4885KMT2A 453/4885MEN1 1922/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3559/4885KMT2A 386/4885MEN1 2094/4885

“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.