SCHEMBL4912381

SCHEMBL4912381

O=CNc1cccc(N2CCN(c3[nH]c(Cl)nc4ncnc3-4)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.37
SCN9A Q15858 6/20 0.36
MAPT P10636 2/20 0.35
WEE1 P30291 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
CNR1 P21554 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
DCTPP1 Q9H773 3/20 0.32
CHEK2 O96017 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4907569 0.85 MAPT (0.47) RPS6KB1MAPTGAAGFERCHEK2
SCHEMBL4913227 0.80 MAPT (0.40) MAPTCNR1GAATNKSTNKS2
Hydrochloric Acid SCHEMBL4899154 0.79 MAPT (0.39) MAPTCNR1GAATNKSTNKS2
SCHEMBL4901811 0.71 KDM4E (0.38) MAPTGAA
SCHEMBL4908538 0.71 HPGD (0.36) GFERSMN1; SMN2
SCHEMBL4908143 0.70 HTR3E (0.48) SCN9AMAPTGAA
Hydrochloric Acid SCHEMBL4911304 0.70 KDM4E (0.41) MAPTGAA
Hydrochloric Acid SCHEMBL4904993 0.70 CNR1 (0.41) SCN9ACNR1
SCHEMBL4901771 0.70 ALDH1A1 (0.53) MAPT
Hydrochloric Acid SCHEMBL4901792 0.70 HTR3E (0.47) SCN9AMAPTGAA

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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US claimed
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 RPS6KB1 757/4885SCN9A 3602/4885MAPT 4400/4885

“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.