SCHEMBL4410043

SCHEMBL4410043

N#Cc1ccc(NC2CCCNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
RPS6KB1 P23443 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.46
EPHX1 P07099 1/20 0.46
CCNT1 O60563 3/20 0.44
CCNK O75909 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK9 P50750 3/20 0.44
CDK12 Q9NYV4 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CHEK1 O14757 7/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
DPP4 P27487 1/20 0.44
CDK2AP1 O14519 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL12596703 0.90 PRKCI (0.44) PDPK1RPS6KB1EPHX1CHEK1CTSS
Hydrochloric Acid SCHEMBL1032874 0.89 PRKCI (0.43) PDPK1RPS6KB1EPHX1CHEK1CTSS
Hydrochloric Acid SCHEMBL1032875 0.89 PRKCI (0.43) PDPK1RPS6KB1EPHX1CHEK1CTSS
SCHEMBL21887081 0.84 DPP4 (0.43) EPHX1CTSSCTSKDPP4
SCHEMBL3475103 0.83 CTSK (0.57) EPHX1CCNKCDK2CDK12CTSS
SCHEMBL15739641 0.83 CTSK (0.54) EPHX1CCNKCDK2CDK12CTSS
SCHEMBL27178730 0.81 PRKCZ (0.43) KDM1A
SCHEMBL3477124 0.81 CTSK (0.60) EPHX1CTSSCTSKDPP4
SCHEMBL24171954 0.80 ITK (0.52) EPHX1CCNT1CCNKCCNE1CDK2
SCHEMBL24596981 0.80 FPR2 (0.54) EPHX1CCNT1CCNKCCNE1CDK2

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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 PDPK1 1204/4885RPS6KB1 3439/4885IRAK4 135/4885

“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.