SCHEMBL21383676

SCHEMBL21383676

COC(=O)c1nc(Br)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL31316470 1.00 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL388845 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL5747714 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL29829085 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL15093907 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL24986644 0.81 NPSR1 (0.45) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL25198769 0.80 S1PR4 (0.49) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL17753595 0.80 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL30409470 0.79 PTGS2 (0.33) RAB9AL3MBTL1NPC1GAA
SCHEMBL1855234 0.79 PTGS2 (0.33) RAB9AL3MBTL1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731626-A1 PI3K INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2026-04-29 EP disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
EP-4514784-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2025-03-05 EP disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
WO-2024260464-A1 PI3K INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. (US) 2024-12-26 WO disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2022-11-24 US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
WO-2021202964-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION PETRA PHARMA CORPORATION (US) 2021-10-07 WO disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 EP disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 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 (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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885KDM4E 756/4885ALDH1A1 3280/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 NPSR1 2588/4885KDM4E 2656/4885ALDH1A1 3412/4885
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 NPSR1 2281/4885KDM4E 2900/4885ALDH1A1 4447/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885KDM4E 756/4885ALDH1A1 3280/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC NPSR1 3743/4885KDM4E 1021/4885ALDH1A1 3858/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 NPSR1 3098/4885KDM4E 4764/4885ALDH1A1 477/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885KDM4E 756/4885ALDH1A1 3280/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NPSR1 3152/4885KDM4E 756/4885ALDH1A1 3280/4885

“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.