SCHEMBL3587877

SCHEMBL3587877

[CH2]c1ccc(N2CCN(C)CC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 3/20 0.49
PTK2B Q14289 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
ADRA2C P18825 2/20 0.47
ALDH1A1 P00352 3/20 0.47
GFER P55789 1/20 0.47
ESR2 Q92731 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 2/20 0.46

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
SCHEMBL423400 0.83 MAPT (0.65) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL28859528 0.83 ADRB1 (0.47) MAPTKDM4EGAAMAPK1HTT
SCHEMBL8318825 0.81 MAPT (0.59) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL3594547 0.80 KDM4E (0.51) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL15094133 0.79 LGMN (0.49) MAPTKDM4EGAAMAPK1HTT
SCHEMBL520755 0.79 MAPT (0.67) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL20236384 0.79 MAPT (0.55) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL20308977 0.79 HSP90AA1 (0.56) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL30858840 0.79 MAPT (0.67) HTR3AMAPTKDM4EGAAPTK2B
SCHEMBL27186038 0.79 HTR3A (0.50) HTR3AMAPTKDM4EGAAPTK2B

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN HTR3A 3666/4885MAPT 2260/4885KDM4E 557/4885

“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.