SCHEMBL793314

SCHEMBL793314

C[Si](C)(C)c1cc2c3nc(-c4ccccc4)[nH]c3c3cc([Si](C)(C)C)sc3c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ CHEK1 O14757 2/20 0.44
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGES O14684 1/20 0.39

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
SCHEMBL21531773 0.76 MAP4K4 (0.38) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL793629 0.73 NQO2 (0.36) KDM4EMAPTMEN1KMT2A
SCHEMBL793654 0.73 KDM4E (0.44) GAAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL29829906 0.73 ALDH1A1 (0.60) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL2951161 0.73 ALDH1A1 (0.60) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL30171053 0.71 MAP4K4 (0.52) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL5323937 0.71 MAP4K4 (0.52) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL29922981 0.69 MAP4K4 (0.50) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL28647943 0.69 MAP4K4 (0.50) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A
SCHEMBL8594230 0.68 MAP4K4 (0.52) MAP4K4PIM1CSNK1DCSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435500-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2019-10-30 — — 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-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 — — US disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 — — 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 (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-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 MAP4K4 4510/4885PIM1 3573/4885CSNK1D 4293/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 MAP4K4 4432/4885PIM1 2761/4885CSNK1D 3392/4885

“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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