SCHEMBL8138335

SCHEMBL8138335

COc1cc2nc(C(F)(F)F)nc(OC)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.54
PDE3A Q14432 3/20 0.54
KRAS P01116 2/20 0.48
SOS1 Q07889 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMARCA2 P51531 1/20 0.39
NQO2 P16083 1/20 0.38

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
SCHEMBL15483491 0.83 HPGD (0.44) PDE3BPDE3AKRASSOS1SMN1; SMN2
SCHEMBL24393304 0.83 PDE3B (0.50) PDE3BPDE3AKRASSOS1SMN1; SMN2
SCHEMBL7820044 0.82 PDE3B (0.49) PDE3BPDE3AKRASSOS1SMN1; SMN2
SCHEMBL30080024 0.82 PDE3B (0.49) PDE3BPDE3AKRASSOS1SMN1; SMN2
SCHEMBL2722557 0.82 PDE3B (0.49) PDE3BPDE3AKRASSOS1SMN1; SMN2
SCHEMBL15483478 0.78 LMNA (0.51) KRASSOS1SMN1; SMN2HPGDL3MBTL1
SCHEMBL8154199 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HPGDL3MBTL1POLBKDM4E
SCHEMBL8140684 0.75 PDE4A (0.55) PDE3BPDE3AKRASSOS1POLB
SCHEMBL3318468 0.74 SMN1; SMN2 (0.55) PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL13763636 0.73 PDE3B (0.43) PDE3BPDE3APOLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2007056120-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-18 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PDE3B 3577/4885PDE3A 3779/4885KRAS 3322/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDE3B 3577/4885PDE3A 3779/4885KRAS 3322/4885

“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.