SCHEMBL26429030

SCHEMBL26429030

C=NN(C)/C(C)=C(\C)c1nc2ccncc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ PKM P14618 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ METAP1 P53582 2/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ PDE5A O76074 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HPSE Q9Y251 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24112428 0.72 KDM4E (0.49) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL2814618 0.67 PIN1 (0.54) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL23835762 0.66 KDM4E (0.49) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL24450252 0.66 SMN1; SMN2 (0.52) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL25789859 0.63 NAMPT (0.58) SMN1; SMN2KDM4ENAMPTHPSEKMT2A
SCHEMBL23836090 0.63 KDM5A (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDPDE5A
SCHEMBL7249651 0.63 SMN1; SMN2 (0.50) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL34462940 0.63 SMN1; SMN2 (0.50) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL879284 0.63 ALDH1A1 (0.50) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL1170780 0.62 ALDH1A1 (0.68) AURKAALDH1A1SMN1; SMN2KDM4ERAB9A

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 1 patent. 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

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 AURKA 958/4885ALDH1A1 1430/4885SMN1; SMN2 561/4885

“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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