SCHEMBL22440212

SCHEMBL22440212

c1ccc(CNc2cnc3nc[nH]c3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.53
▸ MAOB P27338 3/20 0.53
▸ RECQL P46063 1/20 0.52
▸ QPCT Q16769 1/20 0.48
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL22440192 0.82 DHFR (0.51) QPCTCYP1A2
SCHEMBL21303621 0.80 MAOA (0.54) MAOAMAOBRECQLQPCTNPC1
SCHEMBL22440210 0.77 LTA4H (0.52) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL22440183 0.74 QPCT (0.47) RECQLQPCTNPC1RAB9AMAPT
SCHEMBL22440204 0.74 CDC7 (0.56) MAOBKMT2AGRM4HDAC3HDAC1
SCHEMBL15426063 0.73 INSR (0.54) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL22440202 0.72 NPC1 (0.43) NPC1CYP1A2
SCHEMBL22440191 0.72 QPCT (0.49) MAOBQPCTGAA
SCHEMBL22440188 0.71 BRAF (0.40) QPCTPTK2
SCHEMBL22440207 0.71 MAPT (0.53) QPCTNPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 — — US disclosed
US-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-12-17 — — US disclosed
EP-3589632-B1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der Angewandten Forschung Ev (DE) 2020-09-23 — — 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 (2 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-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES GMPS, GLS, QPCT MAOA 3835/4885MAOB 3586/4885RECQL 141/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT MAOA 3570/4885MAOB 3210/4885RECQL 144/4885

“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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