SCHEMBL2769760

SCHEMBL2769760

CCOC(=O)Cc1ccnc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PDE4A P27815 1/20 0.40

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
SCHEMBL4420980 0.80 SMN1; SMN2 (0.45) TBXAS1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL2953301 0.80 SMN1; SMN2 (0.41) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13653554 0.79 CDC7 (0.49) TBXAS1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25242306 0.79 GABRP (0.57) KDM4EMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL20719578 0.78 MAOB (0.46) TBXAS1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL191073 0.78 GABRP (0.61) TBXAS1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL17857202 0.78 LOXL2 (0.46) TBXAS1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL191331 0.78 RECQL (0.50) TBXAS1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2789335 0.78 CYP19A1 (0.43) TBXAS1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30225376 0.78 RECQL (0.50) TBXAS1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 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-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB TBXAS1 1687/4885KDM4E 2484/4885MAPT 3009/4885

“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.