SCHEMBL7516284

SCHEMBL7516284

CN1C(=O)c2c(nn(Cc3ccc(-n4cccn4)cc3)c2Oc2ccc(F)cc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 0.71
▸ PDE2A O00408 2/20 0.49
▸ PDE8A O60658 2/20 0.49
▸ PDE5A O76074 2/20 0.49
▸ PDE3B Q13370 2/20 0.49
▸ PDE11A Q9HCR9 2/20 0.49
▸ PDE7B Q9NP56 2/20 0.49
▸ PDE10A Q9Y233 2/20 0.49
▸ PDE1A P54750 2/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PDE9A O76083 1/20 0.49

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
SCHEMBL7522047 0.94 PDE4A (0.67) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL7514499 0.85 PDE4A (0.55) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL12070394 0.84 PDE4A (0.81) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL7513486 0.83 PDE4A (1.00) PDE4APDE1APDE1B
SCHEMBL14827544 0.82 PDE4A (0.88) PDE4APDE1APDE1B
SCHEMBL7518400 0.78 PDE4A (1.00) PDE4APDE1APDE1B
SCHEMBL7510830 0.76 PDE5A (0.48) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL8046028 0.72 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL773212 0.71 PDE4A (0.85) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL12198178 0.71 PDE4A (0.70) PDE4APDE2APDE8APDE5APDE3B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
EP-2576550-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-11 — — EP disclosed
EP-2576550-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-11 — — EP disclosed
EP-2576550-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-04-10 — — EP disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
WO-2011153129-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO disclosed
WO-2011153129-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO 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-20130085123-A1 ORGANIC COMPOUNDS TPMT, TYMS, P2RX4 PDE4A 701/4885PDE2A 1950/4885PDE8A 1185/4885

“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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