Sugi Predict

Sugi Predict / Compounds / SCHEMBL9948731

SCHEMBL9948731

SCHEMBL9948731

COc1ncc(Br)cc1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ DYRK1B Q9Y463 2/20 0.32
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30

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
SCHEMBL29527168 0.83 GABRA1 (0.41) PIK3CAMTORDYRK1BHTTKMT2A
SCHEMBL28649665 0.83 GABRA1 (0.41) PIK3CAMTORDYRK1BHTTKMT2A
SCHEMBL5781035 0.81 PIK3CA (0.33) PIK3CAMTORDYRK1BHTTKMT2A
SCHEMBL9948908 0.78 AAK1 (0.34) —
SCHEMBL27211388 0.78 ABHD6 (0.36) PIK3CAMTORMAPT
SCHEMBL25342794 0.78 ABHD6 (0.36) PIK3CAMTORMAPT
SCHEMBL29457357 0.78 ABHD6 (0.36) PIK3CAMTORMAPT
SCHEMBL27314936 0.78 RXRA (0.32) PIK3CAMAPTCASP1RXRAGRIN1
SCHEMBL29347849 0.78 MAPT (0.38) PIK3CAMTORKMT2AMAPTCASP1
SCHEMBL31451331 0.76 TSHR (0.34) PIK3CAMTORMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 — — EP disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 — — EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 — — EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 — — US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 — — US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 — — US disclosed
WO-2024091542-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 — — WO disclosed
WO-2024091542-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 — — WO disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 — — CN disclosed
WO-2013093849-A1 DIHYDRO-BENZO-OXAZINE AND DIHYDRO-PYRIDO-OXAZINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 — — WO disclosed
WO-2013093850-A1 QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 — — WO disclosed
WO-2013093850-A1 QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 — — WO disclosed
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2013-06-27 — — US disclosed
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2013-06-27 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — WO disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 PIK3CA 562/4885MTOR 1824/4885DYRK1B 1208/4885
US-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 PIK3CA 1626/4885MTOR 4283/4885DYRK1B 4360/4885
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD PIK3CA 4/4885MTOR 74/4885DYRK1B 543/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 PIK3CA 1185/4885MTOR 3600/4885DYRK1B 4743/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PIK3CA 1799/4885MTOR 4237/4885DYRK1B 4684/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PIK3CA 3586/4885MTOR 3113/4885DYRK1B 4684/4885

“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.