SCHEMBL15214233

SCHEMBL15214233

[N-]=[N+]=NCCCn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.63
▸ ADORA1 P30542 3/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ ADCY5 O95622 4/20 0.54
▸ PI4KA P42356 2/20 0.54
▸ PI4K2B Q8TCG2 2/20 0.54
▸ PI4K2A Q9BTU6 2/20 0.54
▸ PI4KB Q9UBF8 2/20 0.54
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ FGFR1 P11362 1/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ADCY1 Q08828 1/20 0.50

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
SCHEMBL14822332 0.92 ADORA2A (0.61) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL21311162 0.80 ENPP1 (0.57) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.80 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL67131 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL26981114 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL1532103 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL2638945 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL5015473 0.78 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL14037129 0.78 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL1635576 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY5PI4KA

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
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 — — US disclosed
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 — — US disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 — — US disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 — — US disclosed
WO-2014006221-A1 POLYSILYLATED ORGANOSILANE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2014-01-09 — — WO disclosed
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 — — US disclosed
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 — — US disclosed
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 — — US disclosed
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 — — 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 (2 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-20150218192-A1 Polysilylated Organosilane Compounds ALG8, UGT1A9, SI ADORA2A 4370/4885ADORA1 4554/4885ADORA2B 4617/4885
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES CAPNS1, CAPN1, CAPN2 ADORA2A 4382/4885ADORA1 3735/4885ADORA2B 4275/4885

“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.

Send feedback