SCHEMBL10085114

SCHEMBL10085114

C[Si](C)(C)c1cc2c3nc4ccc(Br)cc4nc3c3cc([Si](C)(C)C)sc3c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PABPC1 P11940 1/20 0.36
▸ NQO2 P16083 3/20 0.34
▸ APP P05067 2/20 0.34
▸ HTT P42858 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ PTGES O14684 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL793629 0.82 NQO2 (0.36) NQO2MEN1KMT2A
SCHEMBL10085124 0.78 — —
SCHEMBL19155055 0.78 PABPC1 (0.35) PIK3R1PIK3CAPABPC1NQO2APP
SCHEMBL15196675 0.72 PABPC1 (0.54) PIK3R1PIK3CAPABPC1NQO2HTT
SCHEMBL30361349 0.71 PIK3R1 (0.47) PIK3R1PIK3CAPABPC1NQO2HTT
SCHEMBL28465999 0.71 PIK3R1 (0.47) PIK3R1PIK3CAPABPC1NQO2HTT
SCHEMBL23742855 0.68 HTT (0.53) PIK3R1PIK3CAPABPC1NQO2HTT
SCHEMBL14691351 0.68 USP8 (0.30) —
SCHEMBL30515404 0.68 HTT (0.53) PIK3R1PIK3CAPABPC1NQO2HTT
SCHEMBL30179258 0.68 PABPC1 (0.58) PIK3R1PIK3CAPABPC1NQO2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254929-B1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2018-05-16 — — EP disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 — — US disclosed
US-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2011-03-17 — — 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 (3 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-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES MRPL38, SLC39A7, SLC39A14 PIK3R1 4479/4885PIK3CA 4050/4885PABPC1 3391/4885
US-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 PIK3R1 2342/4885PIK3CA 4260/4885PABPC1 2860/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 PIK3R1 897/4885PIK3CA 2047/4885PABPC1 4455/4885

“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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