SCHEMBL1612382

SCHEMBL1612382

CC(C)(C)c1cc2ccncc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.50
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL12689590 0.87 CYP2A6 (0.51) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL21451250 0.80 CYP2A6 (0.46) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL965562 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL15935248 0.75 PDPK1 (0.32)
SCHEMBL30711406 0.75 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL820486 0.74 MGLL (0.50) CYP2A6
SCHEMBL26564672 0.71 CHEK1 (0.65) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL14764657 0.71 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL3681417 0.71 CYP2A6 (0.55) CYP2A6CHEK1AURKADAPK3PRKD3
SCHEMBL30744154 0.71 CYP2A6 (0.65) CYP2A6CHEK1AURKADAPK3PRKD3

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same POLYERA CORPORATION 2010-10-07 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (11 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4638/4885CHEK1 1697/4885AURKA 3654/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4656/4885CHEK1 1756/4885AURKA 3632/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2A6 4638/4885CHEK1 1697/4885AURKA 3654/4885
US-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHEK1 2525/4885AURKA 2589/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR CYP2A6 2442/4885CHEK1 522/4885AURKA 1969/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 CYP2A6 2441/4885CHEK1 869/4885AURKA 2319/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 CYP2A6 2659/4885CHEK1 194/4885AURKA 1484/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CYP2A6 2388/4885CHEK1 748/4885AURKA 1967/4885
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same HTT, SUV39H1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP2A6 1548/4885CHEK1 1405/4885AURKA 921/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4656/4885CHEK1 1756/4885AURKA 3632/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4656/4885CHEK1 1756/4885AURKA 3632/4885

“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.