SCHEMBL2458502

SCHEMBL2458502

Cc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ MAPT P10636 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ MCL1 Q07820 2/20 0.65
▸ CACNA1B Q00975 1/20 0.65
▸ APBA1 Q02410 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ ALOX5 P09917 3/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ KDR P35968 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL2458503 1.00 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6836889 0.84 KDM4E (0.75) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6836616 0.84 KDM4E (0.75) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13508624 0.83 MAPT (0.73) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL20184767 0.81 MAPT (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL20184766 0.81 MAPT (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL28462890 0.80 NPC1 (0.71) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL24075261 0.71 RAB9A (0.73) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL4623517 0.71 MEN1 (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10575195 0.71 NPC1 (0.54) RAB9ANPC1MEN1KMT2AMAPT

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 — — US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 — — 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET RAB9A 3044/4885NPC1 1244/4885MEN1 2613/4885

“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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