SCHEMBL339775

SCHEMBL339775

CCOC(=O)CNCc1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.40
DPP8 Q6V1X1 9/20 0.40
DPP9 Q86TI2 6/20 0.40
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL339776 0.80 DPP4 (0.41) DPP4DPP8DPP9TSHRMAPT
SCHEMBL339484 0.75 TSHR (0.45) DPP4DPP8DPP9TSHRALDH1A1
SCHEMBL868834 0.74 DPP4 (0.39) DPP4DPP8DPP9CYP1A2CYP2C19
SCHEMBL339389 0.73 ALDH1A1 (0.45) DPP4DPP8DPP9TSHRALDH1A1
SCHEMBL1913168 0.73 MAPT (0.44) DPP4DPP8DPP9TSHRALDH1A1
SCHEMBL338576 0.72 DPP4 (0.40) DPP4DPP8DPP9CYP1A2CYP2C19
SCHEMBL338580 0.72 TSHR (0.44) DPP4DPP8DPP9TSHRALDH1A1
SCHEMBL339080 0.72 ALDH1A1 (0.49) TSHRALDH1A1MAPTHPGDCYP1A2
SCHEMBL339082 0.71 CNR1 (0.42) DPP4DPP8DPP9TSHRGAA
SCHEMBL339713 0.71 DPP4 (0.40) DPP4DPP8DPP9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.