SCHEMBL7906661

SCHEMBL7906661

CN1C(=S)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccccc2)N2C1=N[C@H]1CCC[C@H]12

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.84
PDE5A O76074 5/20 0.84
PDE3B Q13370 5/20 0.84
PDE11A Q9HCR9 5/20 0.84
PDE7B Q9NP56 5/20 0.84
PDE10A Q9Y233 5/20 0.84
PDE2A O00408 4/20 0.84
PDE8A O60658 4/20 0.84
PDE9A O76083 3/20 0.84
PDE1B Q01064 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58

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
SCHEMBL798734 1.00 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL15427617 0.98 PDE4A (0.81) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798736 0.95 PDE4A (0.78) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798413 0.95 PDE4A (0.78) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798700 0.94 PDE4A (0.76) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798735 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4919408 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134013 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL16576765 0.90 PDE4A (0.82) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL798580 0.87 PDE4A (0.92) PDE4APDE5APDE3BPDE11APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358723-B1 4,5,7,8-tetrahydro-2H-imidazo[1,2-a]pyrrolo[3,4-e]pyrimidine compounds as PDE1 inhibitors INTRA CELLULAR THERAPIES INC (US) 2015-05-13 EP disclosed
US-20150080357-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-03-19 US disclosed
US-8633180-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2014-01-21 US disclosed
US-20140011783-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-01-09 US disclosed
WO-2010065151-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 (2 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-20140011783-A1 ORGANIC COMPOUNDS TYMS, TPMT, THPO PDE4A 1155/4885PDE5A 1479/4885PDE3B 943/4885
US-20150080357-A1 ORGANIC COMPOUNDS TYMS, TPMT, THPO PDE4A 1155/4885PDE5A 1479/4885PDE3B 943/4885

“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.