SCHEMBL5448236

SCHEMBL5448236

CC(C)(C)c1nc2ccc(N)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
KEAP1 Q14145 1/20 0.56
MAPT P10636 13/20 0.53
GAA P10253 6/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
GLA P06280 4/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
PTBP1 P26599 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL19132858 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KEAP1MAPTGAARAB9A
SCHEMBL20856609 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KEAP1MAPTGAARAB9A
SCHEMBL2705429 0.80 EPHX2 (0.45) SMN1; SMN2MAPTRAB9A
SCHEMBL799939 0.80 RAB9A (0.58) SMN1; SMN2MAPTGAARAB9AKDM4E
SCHEMBL9518625 0.79 SMN1; SMN2 (0.53) SMN1; SMN2KEAP1MAPTGAARAB9A
SCHEMBL10220011 0.79 GFER (0.56) SMN1; SMN2MAPTGAARAB9AKDM4E
SCHEMBL7873642 0.79 PPARA (0.51) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL8355818 0.79 HTT (0.56) MAPTGAACA1CA2CA4
SCHEMBL799878 0.79 NPC1 (0.51) SMN1; SMN2MAPTGAARAB9AKDM4E
SCHEMBL13824620 0.79 APP (0.48) SMN1; SMN2MAPTRAB9ANPC1APP

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-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
WO-2021057816-A1 NUCLEIC ACID APTAMER MOLECULE 华东理工大学 2021-04-01 WO disclosed
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives BAENTELI ROLF 2007-10-25 US disclosed
EP-1734968-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES Novartis AG (CH) 2006-12-27 EP disclosed
WO-2005097135-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES NOVARTIS AG (CH) 2005-10-20 WO disclosed
EP-0107622-B1 BENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-11-11 EP disclosed
US-4600709-A ANTIEDEMIC, HYPOTENSIVE, DIURETIC CIBA-GEIGY AG (CH) 1986-07-15 US disclosed
EP-0107622-A1 Benzodioxole derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1984-05-02 EP 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-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, WEE1, SHBG SMN1; SMN2 4697/4885KEAP1 468/4885MAPT 4121/4885
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives HPRT1, NUDT1, DPYD SMN1; SMN2 690/4885KEAP1 3907/4885MAPT 2860/4885

“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.