SCHEMBL4076784

SCHEMBL4076784

c1nc2c([nH]1)CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.41
ADRA1D P25100 1/20 0.34
AKT1 P31749 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CHEK1 O14757 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL3309997 1.00 ADRA1A (0.41) ADRA1AADRA1DAKT1GAAPOLB
SCHEMBL2946130 1.00 ADRA1A (0.41) ADRA1AADRA1DAKT1GAAPOLB
SCHEMBL234731 0.98
Benzimidazole SCHEMBL7463429 0.78 ADRA1A (0.41) ADRA1AADRA1DRAB9AHTT
SCHEMBL550173 0.74 ADRA1A (0.40) ADRA1AADRA1DAKT1POLBRAB9A
SCHEMBL1917618 0.74 ADRA1A (0.40) ADRA1AADRA1DAKT1RAB9A
SCHEMBL31698792 0.74 ADRA1A (0.33) ADRA1ARAB9A
SCHEMBL13911357 0.70 GAA (0.50) GAAPOLBRAB9ACHEK1TSHR
SCHEMBL19661014 0.70 ADRA1A (0.47) ADRA1AADRA1DAKT1POLBRAB9A
SCHEMBL12082637 0.70 AKT1 (0.39) ADRA1AADRA1DAKT1HTT

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
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
US-5409947-A Treating hypertension, congestive heart failure KOTOBUKI SEIYAKU CO., LTD. (JP) 1995-04-25 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 ADRA1A 557/4885ADRA1D 445/4885AKT1 140/4885

“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.