SCHEMBL2109062

SCHEMBL2109062

CC1COc2nc(Cl)ccc2CN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
CYP1A2 P05177 1/20 0.34
SIGMAR1 Q99720 6/20 0.34
ALDH1A1 P00352 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
LTA4H P09960 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL10199938 0.80 HTR2C (0.38) CYP1A2SIGMAR1ALDH1A1
SCHEMBL2110977 0.73 CYP1A2 (0.45) CYP1A2SIGMAR1ALDH1A1TMEM97
SCHEMBL2109285 0.72 CYP1A2 (0.39) CYP1A2SIGMAR1TMEM97
SCHEMBL21591646 0.67 CACNA1G (0.42) MAPTCACNA1GCACNA1HCACNA1ICYP1A2
SCHEMBL29883093 0.66 ACHE (0.42) CYP1A2SIGMAR1TMEM97
SCHEMBL2912868 0.66 ACHE (0.42) CYP1A2SIGMAR1TMEM97
SCHEMBL30968461 0.64 ALDH1A1 (0.50) ALDH1A1
SCHEMBL10200435 0.64 PNMT (0.34)
SCHEMBL6741206 0.64 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL4048121 0.64 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MAPT 4568/4885CACNA1G 1056/4885CACNA1H 1375/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B MAPT 4568/4885CACNA1G 1056/4885CACNA1H 1375/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MAPT 4568/4885CACNA1G 1056/4885CACNA1H 1375/4885

“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.