SCHEMBL2957938

SCHEMBL2957938

COc1c(N)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ POLB P06746 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL9279122 0.98 CTSS (0.39) CTSSTDP1ALDH1A1ADRA2BPTGS1
SCHEMBL16829403 0.85 CTSS (0.44) CTSSALDH1A1IDO1GAAKMT2A
SCHEMBL16402105 0.84 TRPA1 (0.44) TDP1ALDH1A1ADRA2BPTGS1CYP3A4
SCHEMBL6036976 0.83 IDO1 (0.38) TDP1ALDH1A1L3MBTL1MAPTPARP1
SCHEMBL6298565 0.82 CA2 (0.41) TDP1ALDH1A1ADRA2BPTGS1MAPT
SCHEMBL15916070 0.78 FFAR4 (0.35) CTSSTDP1ALDH1A1L3MBTL1MAPT
SCHEMBL358326 0.78 ALDH1A1 (0.52) TDP1ALDH1A1ADRA2BPTGS1MAPT
SCHEMBL23977880 0.78 SCN8A (0.44) CTSSALDH1A1POLBGAAKMT2A
SCHEMBL10451316 0.78 AR (0.49) CTSSALDH1A1NPSR1ARCYP3A4
SCHEMBL21212296 0.78 CTSS (0.43) CTSSALDH1A1GAAKMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 — — US disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 — — US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 — — EP disclosed
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 — — US disclosed
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 — — US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 — — CN disclosed
US-11753413-B2 Substituted pyrrolo[2,1-f][1,2,4]triazine compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-09-12 — — US disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 — — EP disclosed
US-11691971-B2 Naphthyridinone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-07-04 — — US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 — — US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 — — US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 — — EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 — — US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 — — US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 — — 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 (9 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CTSS 4267/4885TDP1 3513/4885ALDH1A1 1211/4885
US-11691971-B2 Naphthyridinone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 CTSS 4734/4885TDP1 2069/4885ALDH1A1 2897/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA CTSS 4110/4885TDP1 3157/4885ALDH1A1 1051/4885
US-11753413-B2 Substituted pyrrolo[2,1-f][1,2,4]triazine compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 CTSS 4447/4885TDP1 2164/4885ALDH1A1 3102/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG CTSS 4061/4885TDP1 3518/4885ALDH1A1 1002/4885
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 CTSS 3957/4885TDP1 410/4885ALDH1A1 4805/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 CTSS 3957/4885TDP1 410/4885ALDH1A1 4805/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 CTSS 3957/4885TDP1 410/4885ALDH1A1 4805/4885
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CTSS 2319/4885TDP1 2190/4885ALDH1A1 2700/4885

“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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