SCHEMBL3516499

SCHEMBL3516499

Cn1cnc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.39
HTR2A P28223 6/20 0.35
DRD4 P21917 1/20 0.35
HTR2B P41595 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 1/20 0.33
HRH1 P35367 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
SCHEMBL11517457 0.86 HTR2C (0.34) HTR2CHTR2ADRD4HTR2BGRM5
SCHEMBL3515976 0.86 HTR2C (0.34) HTR2CHTR2ADRD4
Hydrochloric Acid SCHEMBL1995042 0.85 HTR2C (0.33) HTR2CDRD4GRM5
Hydrochloric Acid SCHEMBL1993713 0.85 HTR2C (0.33) HTR2CHTR2ADRD4KDM4EALOX15
SCHEMBL13326541 0.77
SCHEMBL2402912 0.77 DRD4 (0.41) DRD4KDM4EGRM5
SCHEMBL3515534 0.76 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL13415333 0.75 DRD4 (0.40) DRD4KDM4EHSD17B10GRM5
SCHEMBL22604338 0.75 DRD4 (0.40) DRD4KDM4EHSD17B10GRM5
SCHEMBL29837287 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134723-B1 2,6 DIAMINO-9H-PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
EP-2134723-B1 2,6 DIAMINO-9H-PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
US-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 US disclosed
US-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 US disclosed
US-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 US disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
WO-2008107444-A1 9H- PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-12 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-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 HTR2C 2726/4885HTR2A 3144/4885DRD4 1448/4885
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 HTR2C 322/4885HTR2A 794/4885DRD4 15/4885

“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.