SCHEMBL880500

SCHEMBL880500

O=C(Nc1nc2ccccc2s1)C1CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2C19 P33261 1/20 0.76
NPC1 O15118 9/20 0.67
RAB9A P51151 9/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 3/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
POLB P06746 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66

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
SCHEMBL6227837 0.94 GAA (0.68) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL4909101 0.93 NPC1 (0.70) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL1148016 0.90 GAA (0.64) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL6072751 0.86 ALDH1A1 (0.60) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27311843 0.85 GAA (0.57) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27453604 0.85 ADORA1 (0.61) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27452891 0.85 ADORA1 (0.61) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27453600 0.85 ADORA1 (0.61) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27453596 0.85 ADORA1 (0.61) GAACYP1A2CYP2C19NPC1RAB9A
SCHEMBL27453599 0.85 ADORA1 (0.61) GAACYP1A2CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 US disclosed
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-3761490-A CYCLOPROPANE-CARBOXYLIC ACID BENZOTHIAZYLAMIDES BAYER AG 1973-09-25 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 (3 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT GAA 62/4885CYP1A2 2530/4885CYP2C19 2282/4885
US-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 GAA 1829/4885CYP1A2 1840/4885CYP2C19 1320/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 GAA 1829/4885CYP1A2 1840/4885CYP2C19 1320/4885

“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.