SCHEMBL4039015

SCHEMBL4039015

CC(C)(C)OC(=O)N1CCn2c(c(C(N)=S)c(Cl)c2-c2cccnc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
KIT P10721 1/20 0.43
CSNK1E P49674 6/20 0.42
GPR119 Q8TDV5 2/20 0.42
CSNK1D P48730 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.39
P2RX7 Q99572 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
NAMPT P43490 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
DTYMK P23919 1/20 0.36

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
SCHEMBL4045206 0.93 CSNK1E (0.47) GBA1KITCSNK1EGPR119CSNK1D
SCHEMBL4042414 0.86 CSNK1E (0.40) CSNK1ECSNK1DP2RX7
SCHEMBL4039078 0.82 CSNK1E (0.46) GBA1KITCSNK1EGPR119CSNK1D
SCHEMBL4038552 0.81 CSNK1E (0.52) CSNK1ECSNK1DNR1H2
SCHEMBL4041480 0.79 GBA1 (0.49) GBA1KITCSNK1EGPR119CSNK1D
SCHEMBL14368533 0.78 CSNK1E (0.48) CSNK1ECSNK1DNAMPT
SCHEMBL4043737 0.77 NR1H2 (0.39) CSNK1EGPR119CSNK1DCYP3A4CYP3A5
SCHEMBL4041722 0.76 KIT (0.48) GBA1KITCSNK1EGPR119CSNK1D
SCHEMBL4399119 0.75 NR1H2 (0.55) GBA1KITGPR119CYP3A4CYP3A5
SCHEMBL6658946 0.75 P2RX7 (0.41) CSNK1ECSNK1DP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 GBA1 3350/4885KIT 1838/4885CSNK1E 136/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS GBA1 3189/4885KIT 3656/4885CSNK1E 243/4885

“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.