SCHEMBL7490247

SCHEMBL7490247

Cc1cncc(-c2cc(C(F)(F)F)c3nc(C(=O)NCc4cccs4)cn3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7494559 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7493424 0.83 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7489902 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7486958 0.82 HTT (0.47) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7486897 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7489677 0.80 CFTR (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL7494286 0.78 HDAC1 (0.40) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3696362 0.77 RXFP1 (0.42) SMN1; SMN2LMNAALDH1A1MAPK1KDM4E
SCHEMBL7492067 0.73 RAB9A (0.52) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3699022 0.72 PKM (0.45) RAB9ANPC1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 RAB9A 3638/4885NPC1 229/4885SMN1; SMN2 3448/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RAB9A 3638/4885NPC1 229/4885SMN1; SMN2 3448/4885

“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.