SCHEMBL21138862

SCHEMBL21138862

CSc1nc(Cl)c2nnn(C3CCCCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ ADORA2A P29274 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL21057455 0.83 KDM1A (0.40) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL14709136 0.83 KDM1A (0.58) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL21138340 0.81 PDE5A (0.38) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL21057352 0.75 PDE8B (0.38) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL31715103 0.72 HSP90AA1 (0.33) —
SCHEMBL11622927 0.71 ADORA2A (0.40) ADORA2AALDH1A1GRM5GRM1LMNA
SCHEMBL14768701 0.70 PDE5A (0.38) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL14709077 0.68 KDM1A (0.44) KDM1A
SCHEMBL14768666 0.68 PDE5A (0.40) KDM1AADORA2APDE5APDE1APDE1B
SCHEMBL15353927 0.67 CNR2 (0.37) PDE1APDE1BPDE1C

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 — — EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 — — 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A KDM1A 856/4885ADORA2A 1642/4885HTR2A 4208/4885

“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.

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