SCHEMBL5447236

SCHEMBL5447236

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
CSNK1D P48730 1/20 0.56
DYRK1A Q13627 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LRRK2 Q5S007 3/20 0.55
SCD O00767 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
HPGDS O60760 1/20 0.52

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
SCHEMBL14468043 0.87 MAP3K5 (0.67) DHODHHSD17B1HSD17B2RAB9ANPC1
SCHEMBL14808404 0.86 DHODH (0.78) DHODHHSD17B1HSD17B2RAB9ANPC1
SCHEMBL5445832 0.85 HPGDS (0.69) HSD17B1HSD17B2RAB9ANPC1DYRK1A
SCHEMBL14445619 0.84 DHODH (0.56) DHODHHSD17B1HSD17B2RAB9ANPC1
SCHEMBL30810409 0.83 LRRK2 (0.73) RAB9ANPC1CSNK1DDYRK1ALRRK2
SCHEMBL4915124 0.83 SCD (0.74) HSD17B1HSD17B2RAB9ANPC1DYRK1A
SCHEMBL30101774 0.81 PCSK9 (0.75) DHODHHSD17B1HSD17B2RAB9ANPC1
SCHEMBL28849839 0.81 PCSK9 (0.75) DHODHHSD17B1HSD17B2RAB9ANPC1
SCHEMBL16992980 0.81 SCD (0.67) HSD17B1HSD17B2RAB9ANPC1CSNK1D
SCHEMBL14807665 0.79 DYRK1A (0.61) DHODHHSD17B1HSD17B2RAB9ANPC1

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 DHODH 1723/4885HSD17B1 2304/4885HSD17B2 2152/4885

“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.