SCHEMBL14701726

SCHEMBL14701726

O=Cc1cn(-c2ccc(F)cc2)nn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.68
FLT3 P36888 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
PTGS2 P35354 2/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PTGS1 P23219 1/20 0.47
NOTUM Q6P988 1/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 1/20 0.43
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
MIF P14174 2/20 0.42
RXRA P19793 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CA12 O43570 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
AMY1A P0DUB6 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
SCHEMBL17699233 0.87 NOTUM (0.56) P2RX7CA1CA2NOTUMCA9
SCHEMBL25160211 0.81 P2RX7 (0.68) P2RX7CA1CA2PTGS2CA5A
SCHEMBL14610999 0.81 P2RX7 (0.68) P2RX7FLT3CA1CA2PTGS2
SCHEMBL24569989 0.81 P2RX7 (0.68) P2RX7FLT3CA1CA2PTGS2
SCHEMBL2819653 0.81 P2RX7 (1.00) P2RX7CA1CA2PTGS2CA5A
SCHEMBL4960613 0.77 P2RX7 (0.62) P2RX7CA1CA2PTGS2CA5A
SCHEMBL4963203 0.77 P2RX7 (0.67) P2RX7CA1CA2PTGS2CA5A
SCHEMBL12156465 0.76 P2RX7 (0.60) P2RX7PTGS2AMY1A
SCHEMBL31568332 0.76 P2RX7 (0.47) P2RX7CA1CA2NOTUMCA9
SCHEMBL16827649 0.76 P2RX7 (0.47) P2RX7FLT3POLBRXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
EP-2885290-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-10-18 EP disclosed
EP-2885290-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-10-18 EP disclosed
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 US disclosed
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 US disclosed
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 US disclosed
US-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 US disclosed
US-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 US disclosed
US-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 US disclosed
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 US disclosed
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 US disclosed
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 US disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
EP-2885290-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABA RECEPTOR COMPLEX SANIONA APS (DK) 2015-06-24 EP disclosed
CN-104411703-A A phenyl triazole derivative and its use for modulating the gabaa receptor complex ANIONA APS 2015-03-11 CN disclosed
WO-2014001282-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX ANIONA APS (DK) 2014-01-03 WO disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 P2RX7 4451/4885FLT3 4483/4885CA1 3367/4885
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRA5, GABRB3, GABRB1 P2RX7 163/4885FLT3 1578/4885CA1 3598/4885
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB3, GABRB1, GABRB2 P2RX7 191/4885FLT3 1646/4885CA1 3251/4885

“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.