SCHEMBL5848541

SCHEMBL5848541

CSc1cncnc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
CLK4 Q9HAZ1 1/20 0.45
HTR2C P28335 5/20 0.41
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL31737441 0.78 CYP2D6 (0.64) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL23932472 0.78 CYP2D6 (0.64) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL13354928 0.75 CYP2D6 (0.52) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL2420232 0.75 ADRB2 (0.58) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL31652127 0.74 CYP1A2 (0.52) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL4344404 0.74 CYP1A2 (0.52) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL14328423 0.74 CYP2D6 (0.52) CYP2D6TSHRCYP1A2CYP3A4MEN1
SCHEMBL23932498 0.74 CYP2D6 (0.52) CYP2D6TSHRCYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL2798278 0.73 CYP2D6 (0.51) CYP2D6TSHRCYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL2797503 0.73 CYP2D6 (0.51) CYP2D6TSHRCYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199840-A1 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-6995175-B2 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2006-02-07 US disclosed
US-20040138257-A1 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2004-07-15 US disclosed
EP-1401833-A2 CHEMICAL DERIVATIVES AND THE USE THEREOF AS AN ANTI-ELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-03-31 EP disclosed
WO-2002096903-A2 CHEMICAL DERIVATIVES AND THE USE THEREOF AS AN ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-12-05 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 (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-20040138257-A1 Chemical derivatives and their application as antitelomerase agent NTPCR, DPYD, NME1 CYP2D6 1753/4885TSHR 3754/4885CYP1A2 1551/4885
US-20060199840-A1 Chemical derivatives and their application as antitelomerase agent NTPCR, DPYD, NME1 CYP2D6 1753/4885TSHR 3754/4885CYP1A2 1551/4885

“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.