SCHEMBL19084928

SCHEMBL19084928

C(=C/c1ccc2ccccc2n1)\c1cnccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ KDM4E B2RXH2 8/20 0.57
▸ LMNA P02545 6/20 0.57
▸ PKM P14618 2/20 0.57
▸ MAPT P10636 8/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ ECE2 P0DPD6 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MCL1 Q07820 1/20 0.50

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
SCHEMBL30494395 0.82 RAB9A (0.65) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL22501436 0.82 RAB9A (0.65) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.82 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL16970981 0.79 RAB9A (0.70) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL16970983 0.79 RAB9A (0.70) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL19076225 0.78 BACE1 (0.42) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL19076224 0.78 PDE10A (0.50) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL16915454 0.76 RAB9A (0.70) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL16915453 0.76 RAB9A (0.70) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL19076214 0.76 PDE10A (0.53) RAB9ANPC1MAPTKMT2AHDAC6

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-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 — — US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 — — US 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 RAB9A 152/4885NPC1 382/4885KDM4E 4649/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 RAB9A 152/4885NPC1 382/4885KDM4E 4649/4885

“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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