SCHEMBL7424063

SCHEMBL7424063

Cc1nnccc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16276908 0.79 HSD11B1 (0.37) ALDH1A1POLBTSHR
SCHEMBL18743121 0.76 ALDH1A1 (0.33) CA2ALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL21101021 0.76 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL6762259 0.76 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL25293164 0.74 CA2 (0.39) GABRA1GABRB2CA2ALDH1A1POLB
SCHEMBL20843995 0.74 CA2 (0.30) CA2
SCHEMBL15306529 0.74 PTGS1 (0.31) CA2
SCHEMBL21100791 0.74 CA2 (0.30) CA2
SCHEMBL12770298 0.73
SCHEMBL13028958 0.71 RIPK1 (0.32)

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-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
WO-2024146902-A1 METHODS OF PRODUCING HYDROGEL MICROSPHERES ASCENDIS PHARMA A/S (DK) 2024-07-11 WO disclosed
WO-2024146920-A1 DRUG CONJUGATES FOR THE TREATMENT OF OCULAR DISORDERS ASCENDIS PHARMA OPHTHALMOLOGY DIVISION A/S (DK) 2024-07-11 WO disclosed
US-20230340055-A1 GLYCOSYLATED IL-2 PROTEINS AND USES THEREOF Ascendis Pharma Oncology Division A/S (DK) 2023-10-26 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11130749-B2 2021-09-28 US disclosed
WO-2021143823-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 WO disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 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 (10 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-20230340055-A1 GLYCOSYLATED IL-2 PROTEINS AND USES THEREOF IL2, IL1A, ILF2 GABRA1 3793/4885GABRB2 2556/4885CA2 4392/4885
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRB2 3160/4885CA2 2157/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 GABRA1 2550/4885GABRB2 992/4885CA2 3317/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 GABRA1 3287/4885GABRB2 3582/4885CA2 3037/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885CA2 3320/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA GABRA1 4423/4885GABRB2 4538/4885CA2 1497/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 GABRA1 4418/4885GABRB2 4253/4885CA2 1141/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRB2 3160/4885CA2 2157/4885
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRB2 3160/4885CA2 2157/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GABRA1 3361/4885GABRB2 3160/4885CA2 2157/4885

“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.