SCHEMBL21138787

SCHEMBL21138787

C[C@H]1CC[C@H](n2nnc3c(Cl)ncnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ YTHDC1 Q96MU7 1/20 0.33
▸ AHCY P23526 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ EGFR P00533 2/20 0.31
▸ HCK P08631 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ MTOR P42345 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ EPHB4 P54760 2/20 0.31
▸ PRKDC P78527 2/20 0.31
▸ PI4KB Q9UBF8 2/20 0.31
▸ RET P07949 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ FDPS P14324 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
SCHEMBL24687442 0.92 ADORA2A (0.36) TP53YTHDC1AHCYADORA2APIK3CD
SCHEMBL21138790 0.86 ADORA2A (0.39) TP53AHCYADORA2APIK3CDABL1
SCHEMBL11622927 0.85 ADORA2A (0.40) ADORA2APIK3CDABL1EGFRHCK
SCHEMBL21057395 0.82 AHCY (0.48) TP53AHCYADORA2APIK3CDABL1
SCHEMBL21057392 0.82 AHCY (0.48) TP53AHCYADORA2APIK3CDABL1
SCHEMBL21057481 0.82 AHCY (0.48) TP53AHCYADORA2APIK3CDABL1
SCHEMBL21138788 0.81 AHCY (0.32) TP53AHCYEGFRGPR119FDPS
SCHEMBL21057537 0.78 TP53 (0.39) TP53AHCY
SCHEMBL21057538 0.78 TP53 (0.39) TP53AHCY
SCHEMBL21057534 0.78 TP53 (0.39) TP53AHCY

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 TP53 3997/4885YTHDC1 3423/4885AHCY 1959/4885

“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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