SCHEMBL20098162

SCHEMBL20098162

CCCCCCC(CC)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.55
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
NAAA Q02083 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL28275300 1.00 NR1I2 (0.55) NR1I2MAPTALDH1A1POLBNAAA
Hydrochloric Acid SCHEMBL29252979 0.98 NR1I2 (0.54) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL19003601 0.98 NR1I2 (0.53) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL3443068 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL9227674 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18559615 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18635879 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL21755116 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18559449 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL9227794 0.92 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11066414-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-07-20 US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-04-23 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 NR1I2 2341/4885MAPT 3547/4885ALDH1A1 3413/4885
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 NR1I2 1178/4885MAPT 3852/4885ALDH1A1 4531/4885
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NR1I2 3846/4885MAPT 4689/4885ALDH1A1 2149/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NR1I2 1597/4885MAPT 2479/4885ALDH1A1 1806/4885
US-11066414-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS NR1I2 3846/4885MAPT 4689/4885ALDH1A1 2149/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NR1I2 2341/4885MAPT 3547/4885ALDH1A1 3413/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 NR1I2 65/4885MAPT 3156/4885ALDH1A1 375/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR NR1I2 983/4885MAPT 3534/4885ALDH1A1 4414/4885

“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.