SCHEMBL5445832

SCHEMBL5445832

O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.69
LRRK2 Q5S007 3/20 0.68
MAPT P10636 2/20 0.64
HTT P42858 1/20 0.64
LMNA P02545 1/20 0.62
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
DYRK1A Q13627 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
SCD O00767 1/20 0.57

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
SCHEMBL12199320 0.87 HSD17B1 (0.81) LRRK2MAPTHTTLMNAHSD17B1
SCHEMBL13329184 0.87 HSD17B1 (0.81) LRRK2MAPTHTTLMNAHSD17B1
SCHEMBL5089614 0.86 LRRK2 (0.70) LRRK2MAPTHTTRAB9ANPC1
SCHEMBL24730431 0.86 LRRK2 (0.72) LRRK2MAPTHTTLMNAHSD17B1
SCHEMBL13329187 0.86 HPGDS (0.69) HPGDSLRRK2MAPTHTTLMNA
SCHEMBL12199338 0.86 HPGDS (0.69) HPGDSLRRK2MAPTHTTLMNA
SCHEMBL4915124 0.86 SCD (0.74) LRRK2HSD17B1HSD17B2RAB9ANPC1
SCHEMBL5447236 0.85 DHODH (0.59) HPGDSLRRK2HSD17B1HSD17B2RAB9A
SCHEMBL4909148 0.85 NPC1 (0.74) LRRK2MAPTHTTLMNAHSD17B1
SCHEMBL12199328 0.83 SCD (0.83) HPGDSLRRK2HTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR HPGDS 517/4885LRRK2 327/4885MAPT 3282/4885

“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.