SCHEMBL2675945

SCHEMBL2675945

Cc1cnc2[nH]ncc2c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ XDH P47989 2/20 0.42
▸ RET P07949 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40

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
SCHEMBL29478852 1.00 PDPK1 (0.43) PDPK1CCNT1CCNA2CDK2CDK9
Iodide SCHEMBL2674409 0.98 PDPK1 (0.42) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL21662935 0.79 PDPK1 (0.46) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL23858513 0.76 CCNT1 (0.42) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL13705860 0.76 XDH (0.52) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL24802934 0.76 CCNT1 (0.42) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL31128144 0.76 PDPK1 (0.43) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL25795310 0.76 PDPK1 (0.43) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL22349056 0.73 ALDH1A1 (0.42) PDPK1CCNT1CCNA2CDK2CDK9
SCHEMBL22328051 0.73 PDPK1 (0.41) PDPK1CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 — — US disclosed
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 — — US disclosed
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA AB (SE) 2020-04-09 — — US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
EP-2215089-B1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMA (US) 2012-06-27 — — EP disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 — — WO 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 (5 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PDPK1 88/4885CCNT1 774/4885CCNA2 797/4885
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS PDPK1 738/4885CCNT1 212/4885CCNA2 166/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS PDPK1 765/4885CCNT1 208/4885CCNA2 157/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PDPK1 88/4885CCNT1 774/4885CCNA2 797/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC PDPK1 1047/4885CCNT1 539/4885CCNA2 357/4885

“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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