SCHEMBL252303

SCHEMBL252303

Fc1cccnc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
CYP2A6 P11509 1/20 0.46
METAP1 P53582 1/20 0.44
ADORA2A P29274 12/20 0.40
ADORA1 P30542 11/20 0.40
ADORA3 P0DMS8 5/20 0.40
ADORA2B P29275 5/20 0.40
RAB9A P51151 1/20 0.39
CASP6 P55212 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL3663184 0.77 ADORA2A (0.47) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL31631304 0.77 ADORA2A (0.47) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL15624391 0.76 TDP1 (0.44) HSP90AA1
SCHEMBL28020115 0.76 PDPK1 (0.50) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL8567274 0.76 PDPK1 (0.55) PDPK1CYP2A6ADORA2AADORA1RAB9A
SCHEMBL7430359 0.73 CYP11B1 (0.47) CYP2A6ADORA2ARAB9A
SCHEMBL1274801 0.73 LOXL2 (0.50) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL30416689 0.73 TRIM24 (0.46) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL20571767 0.73 TGFBR1 (0.50) PDPK1CYP2A6METAP1ADORA2AADORA1
SCHEMBL28394717 0.73 ADORA2A (0.44) PDPK1CYP2A6METAP1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-2914598-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 EP disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
WO-2014071007-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 WO disclosed
EP-2585451-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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 (3 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS PDPK1 364/4885CYP2A6 777/4885METAP1 2286/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS PDPK1 364/4885CYP2A6 777/4885METAP1 2286/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR PDPK1 977/4885CYP2A6 630/4885METAP1 1132/4885

“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.