SCHEMBL9939628

SCHEMBL9939628

Cc1ccc2[nH]ncc2c1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.40
▸ NOS1 P29475 3/20 0.38
▸ AXL P30530 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ METAP2 P50579 3/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ PKMYT1 Q99640 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL29517434 1.00 IDO1 (0.40) IDO1NOS1AXLROCK2ROCK1
SCHEMBL27192232 0.79 NOS1 (0.42) IDO1NOS1AXLROCK2ROCK1
SCHEMBL61091 0.78 TRPA1 (0.38) IDO1NOS1AXLROCK2ROCK1
SCHEMBL29957643 0.78 TRPA1 (0.38) IDO1NOS1AXLROCK2ROCK1
SCHEMBL15288440 0.76 ROCK1 (0.41) IDO1NOS1AXLROCK2ROCK1
SCHEMBL29951352 0.76 ROCK1 (0.41) IDO1NOS1AXLROCK2ROCK1
SCHEMBL30543214 0.76 ROCK2 (0.39) IDO1NOS1AXLROCK2ROCK1
SCHEMBL8404436 0.75 IDO1 (0.46) IDO1NOS1AXLCCNA2CDK2
SCHEMBL20296713 0.73 TRPV1 (0.41) IDO1NOS1AXLCDK2CCNA1
SCHEMBL4133588 0.72 NOS1 (0.50) IDO1NOS1AXLCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11495769-B2 Inorganic light emitting diode and inorganic light emitting device including the same LG DISPLAY CO., LTD. (KR) 2022-11-08 — — US claimed
US-20210167321-A1 INORGANIC LIGHT EMITTING DIODE AND INORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-06-03 — — US claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 — — US disclosed
CN-116829557-B Pentaheterocycle compound, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2026-05-12 — — CN disclosed
EP-4735439-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-06 — — EP disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 — — US disclosed
US-20250362134-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-11-27 — — US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 — — US disclosed
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2025-10-02 — — US disclosed
EP-4622967-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-01 — — EP disclosed
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents ASTRAZENECA AB (SE) 2025-09-09 — — US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 — — US disclosed
EP-2734521-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS Novartis AG (CH) 2014-05-28 — — EP disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 — — US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 — — US disclosed
EP-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 — — EP disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 — — US disclosed
WO-2013016197-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-01-31 — — WO disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 — — US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — 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 (8 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-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK2A1 IDO1 1410/4885NOS1 4253/4885AXL 1172/4885
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents MCL1, TP53, CCNA2 IDO1 4481/4885NOS1 3745/4885AXL 2417/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS IDO1 4512/4885NOS1 3240/4885AXL 2370/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 IDO1 1142/4885NOS1 209/4885AXL 2375/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS IDO1 4527/4885NOS1 4754/4885AXL 3344/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS IDO1 4527/4885NOS1 4754/4885AXL 3344/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 IDO1 1142/4885NOS1 209/4885AXL 2375/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 IDO1 675/4885NOS1 2608/4885AXL 179/4885

“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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