SCHEMBL3762813

SCHEMBL3762813

Nc1cnccc1C#Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ AOC1 P19801 2/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ GRM4 Q14833 2/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL29870866 1.00 GRM5 (0.40) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL26426520 0.86 GRM5 (0.40) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL29871357 0.86 GRM5 (0.40) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL30270412 0.79 CYP3A4 (0.59) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL26703114 0.79 MAPT (0.60) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL15834776 0.75 GRM5 (0.44) GRM5CYP1A2
SCHEMBL29251289 0.74 GRM5 (0.52) GRM5KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL26426478 0.73 FFAR1 (0.43) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13149262 0.73 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ANPC1HPGD
SCHEMBL29939393 0.73 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 — — US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 — — US disclosed
CN-115175909-A Pyrrolopyridine and imidazopyridine antiviral compounds 鲁汶天主教大学 2022-10-11 — — CN disclosed
WO-2010115901-A1 PYRROLOPYRIDINE THERAPEUTIC COMPOUNDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-14 — — 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 (1 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-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS SARS1, TPI1, TPMT GRM5 2206/4885KDM4E 3519/4885MEN1 2038/4885

“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.

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