Sugi Predict

Sugi Predict / Compounds / SCHEMBL21823272

SCHEMBL21823272

SCHEMBL21823272

COc1cnc(Br)cc1I

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ P2RX3 P56373 11/20 0.40
▸ P2RX2 Q9UBL9 11/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.35
▸ AXL P30530 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29694847 1.00 HTR1A (0.41) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL23976562 0.85 ALDH1A1 (0.44) CYP3A4ALDH1A1AXLPOLBL3MBTL1
SCHEMBL18220679 0.83 P2RX3 (0.37) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL31215476 0.81 P2RX3 (0.31) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL17310145 0.78 AXL (0.43) HTR2AHTR2CHTR2BP2RX3P2RX2
SCHEMBL31390132 0.78 AXL (0.43) HTR2AHTR2CHTR2BP2RX3P2RX2
SCHEMBL22759822 0.77 NQO2 (0.41) P2RX3P2RX2LMNAALDH1A1AXL
SCHEMBL18985638 0.77 P2RX3 (0.40) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL22925704 0.75 ALOX5 (0.39) CYP1A2CYP3A4TSHRNFKB1LMNA
SCHEMBL19616297 0.75 L3MBTL1 (0.52) CYP3A4TSHRP2RX3P2RX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492210-B2 Tricyclic compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2025-12-09 — — US disclosed
US-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2025-10-23 — — US disclosed
EP-4532493-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS AND USES THEREOF Ideaya Biosciences, Inc. (US) 2025-04-09 — — EP disclosed
CN-119451954-A Thiadiazolyl derivatives as DNA polymerase theta inhibitors and uses thereof 伊迪亚生物科学有限公司 2025-02-14 — — CN disclosed
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 — — CN disclosed
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 — — US disclosed
EP-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 — — EP disclosed
CN-117794927-A O-linked thiadiazolyl compounds as inhibitors of DNA polymerase theta 伊迪亚生物科学有限公司 2024-03-29 — — CN disclosed
CN-117486888-A Tricyclic compounds and uses thereof 和记黄埔医药（上海）有限公司 2024-02-02 — — CN disclosed
CN-117486890-A Tricyclic compounds and uses thereof 和记黄埔医药（上海）有限公司 2024-02-02 — — CN disclosed
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 — — CN disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 — — US disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 — — US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 — — US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 — — US disclosed
WO-2020244637-A1 TRICYCLIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2020-12-10 — — WO disclosed
WO-2020244637-A1 TRICYCLIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2020-12-10 — — WO disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 — — US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 — — US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 — — 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-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLH HTR1A 4304/4885HTR2A 4365/4885HTR2C 4134/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B HTR1A 3679/4885HTR2A 4128/4885HTR2C 4476/4885
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB HTR1A 4198/4885HTR2A 4278/4885HTR2C 4127/4885
US-12492210-B2 Tricyclic compounds and their use CYP2C8, CYP11B2, CYP3A7 HTR1A 284/4885HTR2A 124/4885HTR2C 24/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B HTR1A 3679/4885HTR2A 4128/4885HTR2C 4476/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 HTR1A 1565/4885HTR2A 1958/4885HTR2C 1707/4885

“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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