SCHEMBL3944338

SCHEMBL3944338

CSc1nc(Cl)c(C(C)C)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
XBP1 P17861 1/20 0.31
PAX8 Q06710 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL8512824 0.87 CYP1A2 (0.36) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL23627113 0.87 LMNA (0.32) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL23627349 0.84 L3MBTL1 (0.33) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL28578116 0.82 LMNA (0.33) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL11821498 0.81 HTT (0.38) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL4201469 0.79 L3MBTL1 (0.35) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL29795427 0.76 L3MBTL1 (0.35) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL501488 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL22574603 0.74 KMT2A (0.38) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL4194138 0.73 LMNA (0.32) LMNAL3MBTL1ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2009019099-A1 TETRASUBSTITUTED PYRIMIDINE DERIVATIVES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2009-02-12 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C LMNA 1984/4885L3MBTL1 469/4885ALDH1A1 1687/4885

“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.