SCHEMBL1996382

SCHEMBL1996382

O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.64
AKR1C3 P42330 1/20 0.60
AKR1C1 Q04828 1/20 0.60
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
PLK1 P53350 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
HTR7 P34969 2/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
DRD3 P35462 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL29651100 1.00 HTR6 (0.64) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL29460860 0.87 KDM4E (0.68) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL517434 0.87 KDM4E (0.68) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL9587637 0.85 AKR1C3 (0.52) HTR6AKR1C3AKR1C1CA12CA1
SCHEMBL19737423 0.85 HTR6 (0.59) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL4334765 0.85 HTR6 (0.52) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1015250 0.85 HTR6 (0.58) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL19737553 0.82 HTR6 (0.49) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL13051118 0.82 HTR6 (0.52) HTR6AKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL30974768 0.82 HTR6 (0.59) HTR6AKR1C3AKR1C1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
EP-3313530-B1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-10-05 EP disclosed
EP-2655382-B1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-09-28 EP disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
US-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20060189646-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO disclosed
US-5939446-A HYPOTENSIVE AGENTS FROM ISOXAZOLESULFONAMIDES BRISTOL-MYERS SQUIBB CO. (US) 1999-08-17 US disclosed
US-5382670-A Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1995-01-17 US disclosed
EP-0499987-A1 Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1992-08-26 EP disclosed
US-5120749-A Treatment of anaphylactic shock, respiratory distress syndrome, acute inflammation, delayed cellulosr immunity, parturtition, fetal lung maturation, and cellular differentiation ABBOTT LABORATORIES (US) 1992-06-09 US 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C HTR6 2439/4885AKR1C3 3503/4885AKR1C1 2925/4885
US-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 HTR6 4189/4885AKR1C3 2956/4885AKR1C1 3920/4885
US-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 HTR6 951/4885AKR1C3 493/4885AKR1C1 471/4885
US-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 HTR6 3455/4885AKR1C3 2710/4885AKR1C1 3005/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 HTR6 3459/4885AKR1C3 2520/4885AKR1C1 1716/4885
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 HTR6 4189/4885AKR1C3 2956/4885AKR1C1 3920/4885
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 HTR6 4189/4885AKR1C3 2956/4885AKR1C1 3920/4885
US-20060189646-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HTR6 788/4885AKR1C3 87/4885AKR1C1 339/4885

“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.