SCHEMBL2476990

SCHEMBL2476990

CSc1c2c(nn1Cc1ccc(-c3cccc(F)n3)cc1)N1C(=N[C@@H]3CCC[C@@H]31)NC2=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.64
▸ PDE1B Q01064 1/20 0.64
▸ PDE4A P27815 18/20 0.62

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
SCHEMBL18927928 1.00 PDE1A (0.64) PDE1APDE1BPDE4A
SCHEMBL23082965 0.90 PDE4A (0.63) PDE1APDE1BPDE4A
SCHEMBL2511191 0.88 PDE4A (0.60) PDE1APDE1BPDE4A
SCHEMBL18928137 0.85 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL2472569 0.85 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL16435878 0.82 PDE4A (0.52) PDE1APDE1BPDE4A
SCHEMBL14243419 0.78 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL14243117 0.78 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL12198194 0.77 PDE1A (0.74) PDE1APDE1BPDE4A
SCHEMBL14243423 0.77 PDE4A (0.85) PDE1APDE1BPDE4A

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 18 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
EP-2367429-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 — — EP 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 PDE1A 4789/4885PDE1B 4794/4885PDE4A 2122/4885
US-20160083390-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE1A 4789/4885PDE1B 4794/4885PDE4A 2122/4885
US-20140005155-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE1A 4789/4885PDE1B 4794/4885PDE4A 2122/4885
US-20110245214-A1 ORGANIC COMPOUNDS CYP3A7, TPMT, UGT2B7 PDE1A 4752/4885PDE1B 4738/4885PDE4A 2270/4885

“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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