SCHEMBL3452902

SCHEMBL3452902

CN(C)Cc1cc2cc(Cl)ccc2n1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
AHR P35869 1/20 0.40
CCR2 P41597 7/20 0.40
KCNH2 Q12809 2/20 0.39
QRFPR Q96P65 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNE1 P15382 1/20 0.39
SCN5A Q14524 1/20 0.39
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL347208 0.76 MAPT (0.45) CCR2KCNH2MPOTPOMAPT
SCHEMBL22873258 0.67 AKR1B1 (0.45) TDP1MPOTPOMAPT
SCHEMBL2006946 0.67 HTR2A (0.55) LMNA
SCHEMBL14615582 0.67 LMNA (0.53) MPOTPOTHRBPOLBLMNA
SCHEMBL1467597 0.66 CCR2 (0.54) TDP1CCR2
SCHEMBL1467717 0.66 TDP1 (0.51) TDP1CCR2THRBMAPTLMNA
SCHEMBL22003789 0.66 ACLY (0.51) TDP1CCR2
SCHEMBL12491153 0.65 MAPT (0.41) TDP1CCR2THRBMAPTLMNA
SCHEMBL20037044 0.65 TDP1 (0.65) TDP1CCR2MAPTLMNA
Hydrochloric Acid SCHEMBL8687669 0.65 ALDH1A1 (0.52) AHRCCR2MAPTPOLB

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-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 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 (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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP TDP1 1134/4885AHR 3622/4885CCR2 1597/4885

“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.