SCHEMBL3797196

SCHEMBL3797196

Cc1[nH]c(=O)c(C#N)c(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
ATM Q13315 1/20 0.68
ALDH1A1 P00352 7/20 0.53
UPP1 Q16831 5/20 0.50
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 3/20 0.43
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9820198 0.81 ATM (1.00) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL1694758 0.81 KDM4E (0.61) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL8471827 0.81 KDM4E (1.00) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL16398184 0.81 KDM4E (0.61) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL8901518 0.78 UPP1 (0.61) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL5780522 0.78 KDM4E (0.53) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL3794931 0.78 KDM4E (0.64) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL10815675 0.77 KDM4E (0.56) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL16334999 0.75 POLB (0.58) KDM4EATMALDH1A1UPP1HPGD
SCHEMBL1086023 0.74 UPP1 (0.53) KDM4EATMALDH1A1UPP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190869-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2024-06-13 US disclosed
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2024-02-20 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2023-06-22 US disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
US-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2021-10-07 US disclosed
CN-109641898-A For treat nerve and neurodegenerative disease 5,7- dihydro-pyrrole simultaneously-pyridine derivate 辉瑞公司 2019-04-16 CN disclosed
US-20180002331-A1 5,7-Dihydro-Pyrrolo-Pyridine Derivatives PFIZER INC. (US) 2018-01-04 US disclosed
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP 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-20240190869-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 KDM4E 900/4885ATM 2839/4885ALDH1A1 754/4885
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 KDM4E 1401/4885ATM 703/4885ALDH1A1 1904/4885
US-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 KDM4E 900/4885ATM 2839/4885ALDH1A1 754/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 KDM4E 3648/4885ATM 4151/4885ALDH1A1 1070/4885
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 KDM4E 900/4885ATM 2839/4885ALDH1A1 754/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 KDM4E 1401/4885ATM 703/4885ALDH1A1 1904/4885
US-20180002331-A1 5,7-Dihydro-Pyrrolo-Pyridine Derivatives CHRM1, CHRM5, CHRM2 KDM4E 900/4885ATM 2839/4885ALDH1A1 754/4885
US-11905284-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 KDM4E 900/4885ATM 2839/4885ALDH1A1 754/4885

“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.