SCHEMBL14335879

SCHEMBL14335879

Cc1ncc(C=C2C(=O)Nc3ccc(F)cc32)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ GAA P10253 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ LRRK2 Q5S007 1/20 0.67
▸ MEN1 O00255 1/20 0.57
▸ MAP4K1 Q92918 4/20 0.54
▸ FLT3 P36888 3/20 0.54
▸ PAK4 O96013 1/20 0.53
▸ ALK Q9UM73 1/20 0.53
▸ RPS6KA3 P51812 1/20 0.52
▸ CCNE1 P24864 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ CCNE2 O96020 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TLK2 Q86UE8 1/20 0.48
▸ PDPK1 O15530 1/20 0.48

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
SCHEMBL14335878 1.00 KMT2A (0.69) KMT2ANPC1MAPTGAATDP1
SCHEMBL14375860 0.85 NPC1 (0.69) KMT2ANPC1MAPTGAATDP1
SCHEMBL15879182 0.85 NPC1 (0.69) KMT2ANPC1MAPTGAATDP1
SCHEMBL14376384 0.84 KMT2A (0.71) KMT2ANPC1MAPTGAATDP1
SCHEMBL14376348 0.83 LRRK2 (0.78) KMT2ANPC1MAPTGAATDP1
SCHEMBL15878619 0.83 LRRK2 (0.78) KMT2ANPC1MAPTGAATDP1
SCHEMBL14375854 0.82 NPC1 (0.65) KMT2ANPC1MAPTGAATDP1
SCHEMBL15877629 0.82 NPC1 (0.65) KMT2ANPC1MAPTGAATDP1
SCHEMBL14375852 0.82 LRRK2 (0.72) KMT2ANPC1MAPTGAATDP1
SCHEMBL15878789 0.82 LRRK2 (0.72) KMT2ANPC1MAPTGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 — — US disclosed
WO-2012178015-A2 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2012-12-27 — — 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-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 KMT2A 1348/4885NPC1 875/4885MAPT 67/4885

“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.

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