SCHEMBL2511191

SCHEMBL2511191

O=C1NC2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(-c4cccc(F)n4)cc3)c(Sc3ccccn3)c21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 0.60
▸ PDE1A P54750 2/20 0.57
▸ PDE1B Q01064 1/20 0.57

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
SCHEMBL16435878 0.92 PDE4A (0.52) PDE4APDE1APDE1B
SCHEMBL18927928 0.88 PDE1A (0.64) PDE4APDE1APDE1B
SCHEMBL2476990 0.88 PDE1A (0.64) PDE4APDE1APDE1B
SCHEMBL12198217 0.86 PDE4A (0.82) PDE4APDE1APDE1B
SCHEMBL23082965 0.84 PDE4A (0.63) PDE4APDE1APDE1B
SCHEMBL12198227 0.78 PDE4A (0.69) PDE4APDE1APDE1B
SCHEMBL16360148 0.76 PDE4A (0.54) PDE4APDE1A
SCHEMBL15479041 0.76 PDE4A (0.73) PDE4APDE1B
SCHEMBL18927849 0.75 PDE4A (1.00) PDE4APDE1APDE1B
SCHEMBL2507601 0.75 PDE4A (1.00) 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 7 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
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-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 (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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