SCHEMBL20850537

SCHEMBL20850537

CCc1c(C)ccc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ IDO1 P14902 2/20 0.41
▸ NOS1 P29475 3/20 0.39
▸ AXL P30530 2/20 0.39
▸ ESR2 Q92731 7/20 0.39
▸ ESR1 P03372 6/20 0.39
▸ METAP2 P50579 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL21986864 0.84 IDO1 (0.40) CDK2CCNA1IDO1NOS1AXL
SCHEMBL21986879 0.84 NOS1 (0.42) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL22757498 0.82 ESR2 (0.38) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL25791157 0.81 AKT2 (0.43) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL5401942 0.80 CDK2 (0.40) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL14995563 0.80 NOS1 (0.50) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL20850529 0.80 NOS1 (0.50) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL21891669 0.80 CDK2 (0.42) CDK2FLT3CCNA1IDO1NOS1
SCHEMBL27060561 0.78 IDO1 (0.43) CDK2FLT3CCNA1IDO1METAP2
SCHEMBL21217948 0.77 TRPA1 (0.39) CDK2FLT3CCNA1IDO1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 — — US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
WO-2021219091-A2 QUINOXALINONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 — — WO disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 — — US disclosed
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2021-06-01 — — US disclosed
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2021-04-13 — — US disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 — — WO disclosed
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 — — WO disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-06-11 — — US disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 — — US disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO disclosed
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2019-03-28 — — 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 (12 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-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA CDK2 66/4885FLT3 47/4885CCNA1 70/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS CDK2 102/4885FLT3 2187/4885CCNA1 796/4885
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents TOP2A, TOP1, TOP2B CDK2 19/4885FLT3 712/4885CCNA1 349/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CDK2 89/4885FLT3 132/4885CCNA1 907/4885
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS CDK2 27/4885FLT3 1779/4885CCNA1 20/4885
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS CDK2 27/4885FLT3 1779/4885CCNA1 20/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CDK2 102/4885FLT3 2187/4885CCNA1 796/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CDK2 1289/4885FLT3 1513/4885CCNA1 706/4885
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CDK2 28/4885FLT3 224/4885CCNA1 35/4885
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS CDK2 28/4885FLT3 224/4885CCNA1 35/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CDK2 138/4885FLT3 1541/4885CCNA1 474/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CDK2 73/4885FLT3 676/4885CCNA1 278/4885

“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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