SCHEMBL19154841

SCHEMBL19154841

CC(C)(C)c1cc(F)nc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
SQOR Q9Y6N5 1/20 0.31

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
SCHEMBL9967860 0.85 GABRA1 (0.42) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL305093 0.83 GABRA1 (0.43) HMGCRGABRA1GABRB2KDM4EGAA
Hydrochloric Acid SCHEMBL31414207 0.80 POLB (0.44) HMGCRGABRA1GABRB2KDM4EGAA
SCHEMBL19156103 0.77 KDM4E (0.38) KDM4EHSD17B10POLBTSHRSQOR
SCHEMBL11955165 0.77 POLB (0.38) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL22956024 0.76 GABRB2 (0.34) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL22243287 0.76 GABRA1 (0.34) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL179483 0.76 GAA (0.42) GABRA1GABRB2KDM4EGAAMAPT
SCHEMBL22549255 0.76 HSD17B10 (0.41) KDM4EGAAMAPTHSD17B10POLB
SCHEMBL12257695 0.74 POLB (0.39) HMGCRGABRA1GABRB2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118115-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS WEE1 INHIBITORS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2023-04-20 US disclosed
US-11332473-B2 Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors NUVATION BIO INC. (US) 2022-05-17 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 US disclosed
US-20200325142-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-10-15 US disclosed
US-10570090-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2020-02-25 US disclosed
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-03-22 US disclosed
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-03-22 US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 US disclosed
US-9714221-B1 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2017-07-25 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-10570090-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 HMGCR 1191/4885GABRA1 739/4885GABRB2 993/4885
US-20230118115-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS WEE1 INHIBITORS WEE1, WEE2, DPYD HMGCR 4379/4885GABRA1 4343/4885GABRB2 4363/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 HMGCR 1403/4885GABRA1 930/4885GABRB2 1307/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 HMGCR 1403/4885GABRA1 930/4885GABRB2 1307/4885
US-20200325142-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HMGCR 3631/4885GABRA1 4320/4885GABRB2 4035/4885
US-20180079720-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 HMGCR 1403/4885GABRA1 930/4885GABRB2 1307/4885
US-11332473-B2 Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors WEE1, WEE2, DPYD HMGCR 4379/4885GABRA1 4343/4885GABRB2 4363/4885
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 HMGCR 1403/4885GABRA1 930/4885GABRB2 1307/4885

“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.