SCHEMBL3783902

SCHEMBL3783902

c1ncnc(C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
USP7 Q93009 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTR2C P28335 5/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
PLG P00747 1/20 0.34
QDPR P09417 1/20 0.34
CHRM4 P08173 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL9418044 0.83
SCHEMBL615556 0.79 SLC18A3 (0.46) HRH3SLC18A3SIGMAR1HTR2C
SCHEMBL3188650 0.78 CYP11B2 (0.39)
Hydrochloric Acid SCHEMBL18952739 0.77 HTR2C (0.47) HRH3SLC18A3SIGMAR1HTR2C
SCHEMBL3214949 0.76 CYP11B2 (0.42)
SCHEMBL3185400 0.76 CYP11B2 (0.42)
SCHEMBL31736812 0.76 SLC18A3 (0.48) HRH3SLC18A3SIGMAR1USP7HRH4
SCHEMBL25330171 0.74 USP7 (0.46) HRH3SLC18A3SIGMAR1USP7HRH4
SCHEMBL12068365 0.74 HTR2C (0.43) HRH3SLC18A3SIGMAR1USP7HTR2C
SCHEMBL14734253 0.74 HTR3A (0.41) HRH3SLC18A3SIGMAR1USP7HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101772537-B Flame-proofed polymer material CHEM FAB BUDENHEIM KG 2013-07-10 CN claimed
CN-101772537-A Flame-proofed polymer material CHEM FAB BUDENHEIM KG 2010-07-07 CN claimed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 HRH3 225/4885SLC18A3 948/4885SIGMAR1 613/4885

“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.