SCHEMBL3601249

SCHEMBL3601249

N#Cc1ccc(NCC2CCCN2C(=O)O)nc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.61
DPP7 Q9UHL4 3/20 0.61
DPP8 Q6V1X1 2/20 0.61
CYP2D6 P10635 1/20 0.61
DPP9 Q86TI2 1/20 0.61
HCRTR1 O43613 7/20 0.51
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL1597146 0.97 DPP4 (0.58) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL6820877 0.97 DPP4 (0.58) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL1598401 0.85 DPP4 (0.55) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL1598400 0.85 DPP4 (0.55) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL3934702 0.83 DPP4 (0.48) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL1598039 0.82 DPP4 (0.47) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL1598037 0.82 DPP4 (0.47) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL8695496 0.82 DPP4 (0.47) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL9075518 0.82 DPP4 (0.47) DPP4DPP7DPP8CYP2D6DPP9
SCHEMBL3940298 0.80 DPP4 (0.56) DPP4DPP7DPP8CYP2D6DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO DPP4 436/4885DPP7 1082/4885DPP8 759/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP4 497/4885DPP7 1030/4885DPP8 741/4885

“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.