SCHEMBL2512472

SCHEMBL2512472

CN1C(=O)c2cn(Cc3ccc(-c4cccc(F)n4)cc3)nc2N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 0.69
▸ PDE1A P54750 2/20 0.66
▸ PDE1B Q01064 1/20 0.66

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
SCHEMBL14243423 0.85 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL29790189 0.85 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL14158310 0.85 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL2362160 0.84 PDE4A (0.61) PDE4APDE1APDE1B
SCHEMBL2362468 0.84 PDE4A (0.63) PDE4APDE1APDE1B
SCHEMBL2361671 0.83 PDE4A (0.62) PDE4APDE1APDE1B
SCHEMBL18928137 0.80 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL2472569 0.80 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL14243419 0.80 PDE1A (1.00) PDE4APDE1APDE1B
SCHEMBL2509883 0.80 PDE4A (0.79) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435093-B2 Free base crystals INTRA-CELLULAR THERAPIES, INC. (US) 2025-10-07 — — US disclosed
US-20230174543-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2023-06-08 — — US disclosed
US-20230174543-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2023-06-08 — — US disclosed
WO-2021226407-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-11 — — WO disclosed
WO-2021226407-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-11 — — WO disclosed
EP-3010509-B1 FREE BASE CRYSTALS INTRA CELLULAR THERAPIES INC (US) 2021-07-28 — — EP disclosed
EP-3010509-B1 FREE BASE CRYSTALS INTRA CELLULAR THERAPIES INC (US) 2021-07-28 — — EP disclosed
EP-3733675-A1 SALT CRYSTALS OF A PDE1 INHIBITOR Intra-Cellular Therapies, Inc. (US) 2020-11-04 — — EP disclosed
EP-3733675-A1 SALT CRYSTALS OF A PDE1 INHIBITOR Intra-Cellular Therapies, Inc. (US) 2020-11-04 — — EP disclosed
EP-3702358-A1 PROCESS FOR PREPARING SALTS OF A KNOWN PDE1 INHIBITOR Intra-Cellular Therapies, Inc. (US) 2020-09-02 — — EP disclosed
US-20160145261-A1 FREE BASE CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2016-05-26 — — US disclosed
US-20160083390-A1 ORGANIC COMPOUNDS LI PENG (US) 2016-03-24 — — US disclosed
US-20150259353-A1 SALT CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2015-09-17 — — US disclosed
US-20150259353-A1 SALT CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2015-09-17 — — US disclosed
US-20150259353-A1 SALT CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2015-09-17 — — US disclosed
US-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — US disclosed
WO-2014205354-A2 FREE BASE CRYSTALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-24 — — WO 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-20110245214-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-10-06 — — 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 (8 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-12435093-B2 Free base crystals NT5C3B, NT5C, MTAP PDE4A 741/4885PDE1A 3778/4885PDE1B 3968/4885
US-20160145261-A1 FREE BASE CRYSTALS NT5C3B, MTAP, NT5C PDE4A 579/4885PDE1A 3464/4885PDE1B 3676/4885
US-20150038474-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20150259353-A1 SALT CRYSTALS REN, SLC28A1, SLC20A1 PDE4A 1589/4885PDE1A 2653/4885PDE1B 2536/4885
US-20230174543-A1 FREE BASE CRYSTALS NT5C3B, MTAP, NT5C PDE4A 656/4885PDE1A 3794/4885PDE1B 4007/4885
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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