SCHEMBL14554109

SCHEMBL14554109

COc1nc(CI)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ATM Q13315 2/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL33145 0.76 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2CYP2C19TDP1
SCHEMBL11936455 0.76 CYP1A2 (0.38) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL9051621 0.74 ALDH1A1 (0.35) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL4383250 0.74 ALDH1A1 (0.35) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL10920679 0.72 CYP1A2 (0.44) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL3784384 0.70 NOS3 (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL31084638 0.69 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL9680459 0.69 CYP1A2 (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL10637349 0.67 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2CYP2C19MEN1
SCHEMBL8975792 0.66 CYP2C19 (0.36) ALDH1A1LMNACYP1A2CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 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 (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-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 ALDH1A1 1007/4885LMNA 4311/4885CYP1A2 1863/4885

“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.