SCHEMBL2507601

SCHEMBL2507601

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Sc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 1.00
▸ PDE1A P54750 2/20 0.83
▸ PDE1B Q01064 2/20 0.82
▸ PDE2A O00408 1/20 0.69
▸ PDE8A O60658 1/20 0.69
▸ PDE5A O76074 1/20 0.69
▸ PDE9A O76083 1/20 0.69
▸ PDE4B Q07343 1/20 0.69
▸ PDE4C Q08493 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3B Q13370 1/20 0.69
▸ PDE11A Q9HCR9 1/20 0.69
▸ PDE7B Q9NP56 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69

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
SCHEMBL18927849 1.00 PDE4A (1.00) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL12198193 0.92 PDE4A (0.85) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL14243117 0.91 PDE1A (1.00) PDE4APDE1APDE1B
SCHEMBL2472569 0.91 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL18928137 0.91 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL14243419 0.90 PDE1A (1.00) PDE4APDE1APDE1B
SCHEMBL12198217 0.90 PDE4A (0.82) PDE4APDE1APDE1B
SCHEMBL12198174 0.89 PDE4A (0.80) PDE4APDE1APDE1BPDE2APDE8A
SCHEMBL14243423 0.88 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL29790189 0.88 PDE4A (0.85) PDE4APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367429-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-06-07 — — EP disclosed
EP-2367429-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-06-07 — — EP disclosed
US-20160083390-A1 ORGANIC COMPOUNDS LI PENG (US) 2016-03-24 — — US disclosed
US-20160083390-A1 ORGANIC COMPOUNDS LI PENG (US) 2016-03-24 — — US disclosed
US-20160083390-A1 ORGANIC COMPOUNDS LI PENG (US) 2016-03-24 — — US disclosed
US-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — US disclosed
US-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — US disclosed
US-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — US disclosed
US-20140005155-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2014-01-02 — — US disclosed
US-8536159-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2013-09-17 — — US disclosed
US-8536159-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2013-09-17 — — US disclosed
US-8536159-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2013-09-17 — — US disclosed
US-20110245214-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-10-06 — — US disclosed
US-20110245214-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-10-06 — — US disclosed
US-20110245214-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-10-06 — — US disclosed
WO-2010065149-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — WO disclosed
WO-2010065149-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — 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 (4 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-20150038474-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20160083390-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20140005155-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20110245214-A1 ORGANIC COMPOUNDS CYP3A7, TPMT, UGT2B7 PDE4A 2270/4885PDE1A 4752/4885PDE1B 4738/4885

“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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