SCHEMBL20102200

SCHEMBL20102200

CC(C)[Si](C#Cc1cccc(O)c1)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
FFAR1 O14842 2/20 0.39
PGK1 P00558 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA5A P35218 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HSD17B13 Q7Z5P4 2/20 0.37

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
SCHEMBL79116 0.79 GRM5 (0.49) GRM5CA12CA2CA9CA1
SCHEMBL31236140 0.79 ABL1 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL22492744 0.79 ABL1 (0.42) GRM5CA12CA2CA9CA1
SCHEMBL26988477 0.79 GRM5 (0.44) GRM5ALDH1A1CACNA2D1CACNB2CACNA1C
SCHEMBL30283030 0.77 APP (0.44) CA12CA2CA9CA1ABL1
SCHEMBL16346233 0.77 ACACB (0.50) GRM5ALDH1A1ALK
SCHEMBL31387703 0.77 APP (0.48) GRM5FFAR1ALDH1A1LMNACYP3A4
SCHEMBL718295 0.76 CA12 (0.60) GRM5CA12CA2CA9CA1
SCHEMBL2798077 0.73 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4HSD17B10HTR2B
SCHEMBL2814308 0.72 CA12 (0.49) GRM5CA12CA2CA9CA1

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
CN-111278818-B BTK inhibitor compounds 伊莱利利公司 2023-03-28 CN disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
EP-3707133-B1 BTK INHIBITOR COMPOUNDS LILLY CO ELI (US) 2021-12-15 EP disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
EP-3707133-A1 BTK INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2020-09-16 EP disclosed
CN-111278818-A BTK inhibitor compounds 伊莱利利公司 2020-06-12 CN disclosed
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases EUDENDRON S.R.L. (IT) 2019-07-02 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 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 (4 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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES MAP4K2, MAP3K20, MAPKAPK2 GRM5 971/4885CA12 4578/4885CA2 2696/4885
US-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK GRM5 3757/4885CA12 4544/4885CA2 1902/4885
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases MAP4K2, MAP3K20, MAPKAPK2 GRM5 971/4885CA12 4578/4885CA2 2696/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK GRM5 3736/4885CA12 4457/4885CA2 1915/4885

“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.