SCHEMBL721434

SCHEMBL721434

COC(=O)c1cn(-c2ccccc2OC)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.46
MYC P01106 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR4A2 P43354 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 1/20 0.41
HTR7 P34969 1/20 0.41
VDR P11473 1/20 0.40

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
SCHEMBL718347 0.83 PARP1 (0.46) KMT2AMAPTMYCLMNAMEN1
SCHEMBL27834203 0.83 MAPT (0.46) KMT2AMAPTMYCSMN1; SMN2LMNA
SCHEMBL27834207 0.83 MAPT (0.46) KMT2AMAPTMYCSMN1; SMN2LMNA
SCHEMBL716746 0.80 MAPT (0.69) KMT2AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL717884 0.76 NPC1 (0.42) KMT2AMAPTSMN1; SMN2MEN1L3MBTL1
SCHEMBL6312258 0.76 ALKBH1 (0.44) KMT2AMAPTMYCLMNAALDH1A1
SCHEMBL716273 0.74 ALDH1A1 (0.52) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL719038 0.74 L3MBTL1 (0.62) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL719241 0.74 KDM4E (0.45) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL718166 0.74 KMT2A (0.52) KMT2AMAPTLMNAMEN1ALDH1A1

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-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
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 KMT2A 1298/4885MAPT 4533/4885MYC 167/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MAPT 4533/4885MYC 167/4885

“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.