SCHEMBL3129684

SCHEMBL3129684

COC(=O)c1cc2n(n1)CCCN=C2OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL3123917 0.84 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL19044281 0.76 CYP1A2 (0.49) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL3127245 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL13612070 0.72 CYP1A2 (0.33) CYP1A2
SCHEMBL15273696 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL22275219 0.70 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL22716058 0.69 CDC7 (0.49) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL31389508 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL28641371 0.69 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL22102667 0.68 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
WO-2006023750-A2 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-03-02 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 ALDH1A1 1223/4885CYP1A2 681/4885CYP2C19 638/4885

“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.