SCHEMBL3515534

SCHEMBL3515534

CCn1cnc2c1CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.41
HTR2B P41595 5/20 0.41
HTR2A P28223 3/20 0.41
TLR7 Q9NYK1 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CPB2 Q96IY4 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL23161482 0.79 PDE3B (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3516499 0.76 HTR2C (0.39) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL18953822 0.73 CPB2 (0.40) HTR2CADORA2AADORA1CPB2
SCHEMBL13266064 0.69 SMN1; SMN2 (0.35)
SCHEMBL13506399 0.68 MEN1 (0.39) ADORA2A
SCHEMBL11517664 0.67 HTR2A (0.31) HTR2CHTR2A
SCHEMBL11485113 0.67 HTR2A (0.31) HTR2CHTR2A
SCHEMBL8819204 0.67 HRH3 (0.34) HTR2CHTR2BHTR2A
SCHEMBL11500204 0.67 ADORA2B (0.33)
SCHEMBL11501250 0.67 ADORA2B (0.33)

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 3 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
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-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 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-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 HTR2C 2726/4885HTR2B 2930/4885HTR2A 3144/4885

“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.