SCHEMBL21598409

SCHEMBL21598409

COc1nccc(F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRPA1 O75762 4/20 0.36
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ APLNR P35414 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32

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
SCHEMBL29517451 0.80 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27882381 0.80 TRPA1 (0.39) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3475483 0.78 HPGD (0.42) HPGDSMN1; SMN2CYP1A2CYP2C19APLNR
SCHEMBL21050753 0.78 TRPA1 (0.38) HPGDSMN1; SMN2TRPA1CYP1A2CYP3A4
SCHEMBL4541186 0.77 HPGD (0.55) HPGDSMN1; SMN2TRPA1CYP1A2CYP3A4
SCHEMBL1844481 0.77 HPGD (0.41) HPGDSMN1; SMN2CYP1A2CYP2C19APLNR
SCHEMBL22034054 0.77 HPGD (0.37) HPGDSMN1; SMN2TRPA1CYP1A2CYP3A4
SCHEMBL22972330 0.77 TRPA1 (0.37) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25343385 0.75 HPGD (0.40) HPGDSMN1; SMN2CYP1A2CYP2C19APLNR
SCHEMBL21598410 0.75 CCR4 (0.37) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 — — US disclosed
US-20250215029-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. 2025-07-03 — — US disclosed
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2025-03-04 — — US disclosed
WO-2025020191-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 — — WO disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 — — WO disclosed
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 — — CN disclosed
EP-4463459-A1 STAT MODULATORS AND USES THEREOF Recludix Pharma, Inc. (US) 2024-11-20 — — EP disclosed
CN-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
US-20240299385-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS REWIND THERAPEUTICS NV (BE) 2024-09-12 — — US disclosed
CN-111343987-B Macrocyclic compounds as TRK kinase inhibitors and uses thereof 安杰斯制药公司 2024-08-23 — — CN disclosed
WO-2022099044-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 — — WO disclosed
US-20220143032-A1 2-PYRIDONES AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 — — US disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 — — WO disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 — — WO disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 — — US disclosed
US-11040031-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-06-22 — — US disclosed
EP-3807266-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica N.V. (BE) 2021-04-21 — — EP disclosed
CN-112585128-A Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2021-03-30 — — CN disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — 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 (6 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-11040031-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 HPGD 2446/4885SMN1; SMN2 2443/4885TRPA1 4671/4885
US-20220143032-A1 2-PYRIDONES AND METHODS OF USE THEREOF PSEN2, MAPT, PNPO HPGD 875/4885SMN1; SMN2 33/4885TRPA1 2403/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR HPGD 2997/4885SMN1; SMN2 3904/4885TRPA1 4865/4885
US-20250215029-A1 STAT MODULATORS AND USES THEREOF STAT6, STAT3, STAT5A HPGD 3078/4885SMN1; SMN2 3779/4885TRPA1 2600/4885
US-20240299385-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS GPR3, GPR27, GPR65 HPGD 1966/4885SMN1; SMN2 802/4885TRPA1 84/4885
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR HPGD 2997/4885SMN1; SMN2 3904/4885TRPA1 4865/4885

“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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