SCHEMBL14468043

SCHEMBL14468043

Cc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.67
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
RXFP1 Q9HBX9 1/20 0.64
SCD O00767 3/20 0.63
DHODH Q02127 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
KLK7 P49862 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
DYRK1A Q13627 2/20 0.59
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MAPT P10636 3/20 0.57
HTT P42858 2/20 0.57
OPRK1 P41145 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
SCHEMBL5447236 0.87 DHODH (0.59) RAB9ANPC1RXFP1SCDDHODH
SCHEMBL14808404 0.86 DHODH (0.78) RAB9ANPC1SCDDHODHSMN1; SMN2
SCHEMBL14445619 0.86 DHODH (0.56) RAB9ANPC1RXFP1SCDDHODH
SCHEMBL24729230 0.86 MAP3K5 (0.65) MAP3K5RAB9ANPC1RXFP1SMN1; SMN2
SCHEMBL12199338 0.85 HPGDS (0.69) MAP3K5RAB9ANPC1RXFP1SCD
SCHEMBL13329187 0.85 HPGDS (0.69) MAP3K5RAB9ANPC1RXFP1SCD
SCHEMBL30101774 0.85 PCSK9 (0.75) RAB9ANPC1RXFP1SCDDHODH
SCHEMBL28849839 0.85 PCSK9 (0.75) RAB9ANPC1RXFP1SCDDHODH
SCHEMBL30810409 0.83 LRRK2 (0.73) RAB9ANPC1SCDSMN1; SMN2MEN1
SCHEMBL12421988 0.83 TP53 (0.66) RAB9ANPC1RXFP1SMN1; SMN2KDM4E

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-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-07-12 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056023-A2 THIAZOLE INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO 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 (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-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations JAK2, ABL1, FLT3 MAP3K5 54/4885RAB9A 2426/4885NPC1 3154/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR MAP3K5 81/4885RAB9A 1849/4885NPC1 3007/4885

“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.