SCHEMBL10170616

SCHEMBL10170616

CC(=O)Nc1nc2ccc(O)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 1.00
NPC1 O15118 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C19 P33261 2/20 0.71
RAB9A P51151 2/20 0.71
CYP2C9 P11712 1/20 0.71
FSCN1 Q16658 1/20 0.71
PDPK1 O15530 1/20 0.71
HSD17B1 P14061 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.68
PIK3CG P48736 2/20 0.66
PIK3CA P42336 1/20 0.66
PIK3CB P42338 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
ADORA1 P30542 1/20 0.65
HSD17B2 P37059 2/20 0.64
DYRK1B Q9Y463 1/20 0.64
SULT1A1 P50225 1/20 0.63

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
SCHEMBL3804150 0.88 PIK3CG (0.80) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL16992945 0.88 DYRK1A (1.00) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL31060991 0.88 DYRK1A (1.00) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL544349 0.86 DYRK1A (0.75) DYRK1ACYP3A4CYP2C19CYP2C9HSD17B1
SCHEMBL3716998 0.85 PIK3CG (0.79) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL20887499 0.85 DYRK1A (0.72) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL2175580 0.84 DYRK1A (1.00) DYRK1ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL27717411 0.84 DYRK1A (0.73) DYRK1ACYP3A4CYP2C19CYP2C9HSD17B1
SCHEMBL14539566 0.84 DYRK1A (0.72) DYRK1ACYP3A4CYP2C19CYP2C9HSD17B1
SCHEMBL4501407 0.83 DYRK1A (0.71) DYRK1ANPC1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-11-27 US disclosed
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-11-27 US disclosed
WO-2013040183-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-03-21 WO disclosed
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK DYRK1A 3467/4885NPC1 508/4885CYP1A2 261/4885
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF APP, APBA1, IAPP DYRK1A 4629/4885NPC1 332/4885CYP1A2 2863/4885

“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.