SCHEMBL719835

SCHEMBL719835

COC(=O)c1c[nH]nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
MAP2K1 Q02750 1/20 0.38
NR4A2 P43354 4/20 0.38
CREBBP Q92793 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 5/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CFTR P13569 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL1218771 0.84 TSHR (0.39) LMNASMN1; SMN2TSHRMAP2K1NR4A2
SCHEMBL6231360 0.81 HCAR3 (0.39) LMNATSHRKDM4EALDH1A1HSD17B10
SCHEMBL4294216 0.81 KMT2A (0.46) LMNATSHRKDM4EGAAALDH1A1
SCHEMBL28131229 0.79 IRAK4 (0.37) MAP2K1
SCHEMBL27223156 0.76 SMN1; SMN2 (0.43) LMNASMN1; SMN2TSHRMAP2K1NR4A2
SCHEMBL16598830 0.75 TSHR (0.38) LMNASMN1; SMN2TSHRMAP2K1NR4A2
SCHEMBL719512 0.75 TSHR (0.43) LMNASMN1; SMN2TSHRMAP2K1NR4A2
SCHEMBL69295 0.75 NPSR1 (0.48) LMNASMN1; SMN2TSHRMAP2K1NR4A2
SCHEMBL14438179 0.75 TSHR (0.44) LMNATSHRMAP2K1NR4A2CREBBP
SCHEMBL165475 0.75 TSHR (0.43) LMNATSHRMAP2K1NR4A2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885SMN1; SMN2 1051/4885TSHR 1555/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885SMN1; SMN2 1051/4885TSHR 1555/4885

“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.