SCHEMBL6325593

SCHEMBL6325593

COC(=O)c1ncccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
PLCG1 P19174 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ELANE P08246 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 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
SCHEMBL22853848 0.83 L3MBTL1 (0.55) L3MBTL1PLCG1ALDH1A1KDM4EMAP2K1
SCHEMBL4653335 0.83 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EHPGDELANE
SCHEMBL17260775 0.81 ELANE (0.49) L3MBTL1PLCG1ALDH1A1KDM4EHPGD
SCHEMBL22853888 0.80 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL6678615 0.79 LRRK2 (0.41) L3MBTL1PLCG1ALDH1A1KDM4ECYP3A4
Water SCHEMBL15167306 0.79 KDM4E (0.55) L3MBTL1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL936114 0.79 KDM4E (0.55) L3MBTL1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL10632955 0.77 GRM5 (0.45) L3MBTL1ALDH1A1KDM4ECYP3A4ELANE
SCHEMBL3254218 0.77 KDM4E (0.48) L3MBTL1ALDH1A1KDM4ECYP3A4ELANE
SCHEMBL10435078 0.77 KDM4E (0.48) L3MBTL1ALDH1A1KDM4ECYP3A4ELANE

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-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-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2021-10-07 US disclosed
EP-3478679-B1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES FOR TREATING NEUROLOGICAL AND NEURODEGENERATIVE DISEASES PFIZER (US) 2021-04-21 EP disclosed
US-20200207762-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER (US) 2020-07-02 US disclosed
US-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives PFIZER INC. (US) 2020-03-31 US disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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 (5 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-20210309659-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 L3MBTL1 719/4885PLCG1 265/4885ALDH1A1 754/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 L3MBTL1 2390/4885PLCG1 1708/4885ALDH1A1 338/4885
US-20200207762-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 L3MBTL1 719/4885PLCG1 265/4885ALDH1A1 754/4885
US-20230192690-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES CHRM1, CHRM5, CHRM2 L3MBTL1 719/4885PLCG1 265/4885ALDH1A1 754/4885
US-10604519-B2 5,7-dihydro-pyrrolo-pyridine derivatives CHRM1, CHRM5, CHRM2 L3MBTL1 719/4885PLCG1 265/4885ALDH1A1 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.