SCHEMBL10201626

SCHEMBL10201626

CN1C(=O)c2[nH]c(Cc3ccccc3)nc2N2CC3(CCCC3)N=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 1.00
▸ PDE3B Q13370 1/20 0.64
▸ PDE3A Q14432 1/20 0.64
▸ PDE4A P27815 5/20 0.62
▸ PDE4B Q07343 5/20 0.62
▸ PDE4C Q08493 5/20 0.62
▸ PDE4D Q08499 5/20 0.62
▸ PDE1B Q01064 1/20 0.57
▸ PDE2A O00408 1/20 0.51

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
SCHEMBL10263001 0.80 PDE5A (0.68) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL16503589 0.80 PDE5A (0.66) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL235355 0.79 PDE5A (0.67) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL7874358 0.76 PDE4A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL715378 0.76 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7448642 0.76 PDE5A (0.83) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL714965 0.75 PDE5A (0.82) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL20841478 0.74 PDE5A (0.78) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL10201625 0.74 PDE5A (0.78) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL10201496 0.73 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — US disclosed
US-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — 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 (6 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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE3B 7/4885PDE3A 3/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE3B 5/4885PDE3A 3/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE3B 7/4885PDE3A 3/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE3B 7/4885PDE3A 3/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE3B 4/4885PDE3A 1/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE3B 5/4885PDE3A 3/4885

“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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