SCHEMBL12520643

SCHEMBL12520643

CN(C)c1ccc(-c2ncccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AURKA O14965 1/20 0.45
ADK P55263 6/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SYK P43405 4/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TNK2 Q07912 1/20 0.40
NOX1 Q9Y5S8 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
SCHEMBL4436880 0.79 KMT2A (0.49) MAPTSMN1; SMN2KDM4ETRPV1SYK
SCHEMBL12520896 0.79 MAPT (0.46) MAPTSMN1; SMN2AURKAADKKDM4E
SCHEMBL29793378 0.77 CNR2 (0.46) MAPTSMN1; SMN2AURKAKDM4ETRPV1
SCHEMBL3027615 0.77 CNR2 (0.46) MAPTSMN1; SMN2AURKAKDM4ETRPV1
SCHEMBL27963289 0.76 PARP1 (0.50) MAPTSMN1; SMN2AURKAKDM4ESYK
SCHEMBL26103203 0.76 CNR2 (0.46) TRPV1CNR2
SCHEMBL30610433 0.75 KDM4E (0.65) MAPTSMN1; SMN2AURKAKDM4ESYK
SCHEMBL4216197 0.75 TRPV1 (0.44) MAPTSMN1; SMN2KDM4ETRPV1SYK
SCHEMBL1551352 0.75 KDM4E (0.65) MAPTSMN1; SMN2AURKAKDM4ESYK
SCHEMBL12520858 0.75 TRPV1 (0.47) SMN1; SMN2KDM4ETRPV1SYKCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 EP disclosed
WO-2011062194-A1 AMINOPYRIDINE DERIVATIVE 武田薬品工業株式会社 (JP) 2011-05-26 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 (1 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-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 MAPT 918/4885SMN1; SMN2 691/4885AURKA 745/4885

“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.