SCHEMBL21057381

SCHEMBL21057381

O[C@@H]1CCCC[C@@H]1n1nnc2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.41
▸ ADORA2A P29274 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FDPS P14324 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TEK Q02763 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL21057378 1.00 AHCY (0.41) AHCYADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL21057383 1.00 AHCY (0.41) AHCYADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL21057537 0.83 TP53 (0.39) AHCYCYP1A2CYP3A4CYP2D6PDE8B
SCHEMBL21057538 0.83 TP53 (0.39) AHCYCYP1A2CYP3A4CYP2D6PDE8B
SCHEMBL21057534 0.83 TP53 (0.39) AHCYCYP1A2CYP3A4CYP2D6PDE8B
SCHEMBL11622927 0.81 ADORA2A (0.40) ADORA2ASRCKDRALDH1A1
SCHEMBL21138790 0.79 ADORA2A (0.39) AHCYADORA2ASRCKDR
SCHEMBL24687442 0.79 ADORA2A (0.36) AHCYADORA2AFDPSLCKSRC
SCHEMBL21138787 0.72 TP53 (0.43) AHCYADORA2AFDPSSRCKDR
SCHEMBL22787469 0.72 AHCY (0.48) AHCY

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 AHCY 1959/4885ADORA2A 1642/4885CYP1A2 917/4885

“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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