SCHEMBL4907569

SCHEMBL4907569

Clc1cccc(N2CCN(c3[nH]c(Cl)nc4ncnc3-4)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
RPS6KB1 P23443 4/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR7 P34969 1/20 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
SCHEMBL4913227 0.87 MAPT (0.40) MAPTHTTGAADHFRSMN1; SMN2
Hydrochloric Acid SCHEMBL4899154 0.86 MAPT (0.39) MAPTHTTGAADHFRSMN1; SMN2
SCHEMBL4912381 0.85 RPS6KB1 (0.37) MAPTRPS6KB1GAAGFERSMN1; SMN2
SCHEMBL4901811 0.78 KDM4E (0.38) MAPTHTR3ACYP3A4HTR1ACYP2D6
SCHEMBL4908538 0.77 HPGD (0.36) TP53CYP1A2CYP2C19HTTGFER
SCHEMBL4908143 0.77 HTR3E (0.48) MAPTHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4911304 0.77 KDM4E (0.41) MAPTHTR3ACYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL4901792 0.76 HTR3E (0.47) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL4901771 0.76 ALDH1A1 (0.53) MAPTHTR2BLMNAALDH1A1RAB9A
SCHEMBL4909293 0.75 TYMP (0.37) MAPTTP53CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 MAPT 4400/4885RPS6KB1 757/4885HTR3E 4083/4885

“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.