SCHEMBL2110119

SCHEMBL2110119

CC(C)(C)NC(=O)N1CCN(c2ccc3c(n2)OCCN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAP4K4 O95819 1/20 0.43
NAMPT P43490 2/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
NPC1 O15118 2/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR1H2 P55055 1/20 0.39
GPR119 Q8TDV5 2/20 0.37
STS P08842 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2110459 0.89 MAP4K4 (0.47) MAP4K4NAMPTCKS1BSKP1SKP2
SCHEMBL2110090 0.84 MAPK1 (0.44) MAP4K4CKS1BSKP1SKP2PIK3CA
SCHEMBL2110383 0.83 ESR2 (0.42) MAP4K4NAMPTCKS1BSKP1SKP2
SCHEMBL2110494 0.80 CKS1B (0.42) MAP4K4CKS1BSKP1SKP2PIK3CA
SCHEMBL2110086 0.79 ESR2 (0.40) MAP4K4NPC1PIK3CAMTORRAB9A
SCHEMBL2111674 0.78 NR1H2 (0.47) NAMPTNPC1PIK3CAMTORRAB9A
SCHEMBL10200716 0.78 KDM4E (0.46) KDM4EPOLBNPC1RAB9AGAA
SCHEMBL2110617 0.78 SIGMAR1 (0.47) POLBCKS1BSKP1SKP2
Hydrochloric Acid SCHEMBL2110822 0.77 KDM4E (0.45) KDM4EPOLBNPC1RAB9AGAA
SCHEMBL2891547 0.77 ESR2 (0.50) POLBPIK3CAMTORESR2MAPT

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 10 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-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-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
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 KDM4E 2572/4885POLB 4618/4885MAP4K4 1909/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B KDM4E 2572/4885POLB 4618/4885MAP4K4 1909/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B KDM4E 2572/4885POLB 4618/4885MAP4K4 1909/4885

“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.