SCHEMBL3748869

SCHEMBL3748869

CN(C)CCNc1nc2c(C(N)=O)c[c]cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.36
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
TNIK Q9UKE5 1/20 0.35
SYK P43405 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PARP1 P09874 1/20 0.34
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.32
NPC1 O15118 1/20 0.32
ACHE P22303 2/20 0.32
P2RX7 Q99572 2/20 0.32
ILK Q13418 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
CDC25C P30307 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL3752317 0.78 HTR2C (0.39) SYK
SCHEMBL4250094 0.77 DYRK1A (0.48) NPC1
SCHEMBL4643599 0.76 MAPT (0.37)
SCHEMBL3750058 0.73 PARP14 (0.34) PARP14PARP1
SCHEMBL3178005 0.72 NPC1 (0.34) PARP14PARP1NPC1
SCHEMBL3744443 0.71 THRB (0.35) PARP1
SCHEMBL4250864 0.70 PDPK1 (0.38) PARP1
SCHEMBL4253113 0.70 NPC1 (0.53) NPC1
SCHEMBL3756193 0.69 KDM4E (0.32) PARP14PARP1
SCHEMBL4638534 0.69

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-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP14 4538/4885ALPL 4790/4885ALPI 3902/4885

“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.