SCHEMBL10314242

SCHEMBL10314242

COc1c(C(=O)NC2CCNCC2)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTR4 Q13639 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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 SCHEMBL1062061 0.99 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1HTR4
SCHEMBL1057532 0.92 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10314465 0.91 SMO (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1062765 0.90 SMO (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1056946 0.87 SMO (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10314199 0.87 TP53 (0.51) —
SCHEMBL1059801 0.87 HTR4 (0.43) HTR4
SCHEMBL10314496 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1HTR4
SCHEMBL1064517 0.85 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL1060908 0.85 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1HTR4

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
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP 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-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
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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 (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 KMT2A 453/4885SMN1; SMN2 3564/4885MEN1 1922/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885SMN1; SMN2 3559/4885MEN1 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.

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