SCHEMBL9998918

SCHEMBL9998918

O=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.41
DYRK1A Q13627 2/20 0.40
PDPK1 O15530 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
ABL1 P00519 2/20 0.40
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LRRK2 Q5S007 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 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
SCHEMBL16209464 0.85 DYRK1A (0.60) HPGDSDYRK1APDPK1TRPV1NPC1
SCHEMBL595448 0.85 PDPK1 (0.60) DYRK1APDPK1TRPV1NPC1RAB9A
SCHEMBL15834798 0.81 RAB9A (0.56) NPC1RAB9APOLBHTTMAPT
SCHEMBL1302068 0.81 RAB9A (0.60) HPGDSDYRK1ANPC1RAB9AHTT
SCHEMBL6764542 0.81 DYRK1A (0.61) HPGDSDYRK1ANPC1RAB9APOLB
SCHEMBL12073003 0.81 DYRK1A (0.60) HPGDSDYRK1ANPC1RAB9APOLB
SCHEMBL15834778 0.80 DYRK1A (0.62) DYRK1ALRRK2
SCHEMBL594893 0.80 ADORA1 (0.56) DYRK1ANPC1RAB9APOLBHTT
SCHEMBL19335102 0.77 PIK3CA (0.64) DYRK1ANPC1RAB9AHTTMAPT
SCHEMBL23901002 0.75 ABL1 (0.52) HPGDSDYRK1APDPK1ABL1NPC1

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-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 HPGDS 288/4885DYRK1A 1209/4885PDPK1 1423/4885

“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.