SCHEMBL22448314

SCHEMBL22448314

c1ccc(CNc2cnc3[nH]cnc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.56
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ METAP2 P50579 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ QPCT Q16769 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL21303660 0.92 IP6K1 (0.51) IP6K1PDGFRBPDGFRAMETAP2PTPN1
SCHEMBL21303665 0.89 F2 (0.56) IP6K1PDGFRBPDGFRAMAPK1ALDH1A1
SCHEMBL21303616 0.86 FFAR1 (0.51) IP6K1ALDH1A1
SCHEMBL21303622 0.86 LTA4H (0.54) CYP1A2CYP2D6ALDH1A1LTA4HHTT
SCHEMBL21303627 0.85 RAB9A (0.47) IP6K1LMNACYP1A2QPCTALDH1A1
SCHEMBL21303629 0.85 CDC7 (0.51) IP6K1MAPK1CDK1HDAC6HTT
SCHEMBL21303662 0.83 CYP1A2 (0.43) IP6K1METAP2CYP1A2CYP2D6CDK2
SCHEMBL21303664 0.82 MAPT (0.51) PDGFRBPDGFRALMNAQPCTALDH1A1
SCHEMBL21303621 0.81 MAOA (0.54) PTPN11CYP1A2QPCTALDH1A1HDAC6
SCHEMBL21303608 0.80 NPC1 (0.44) IP6K1PDGFRBPDGFRAMAPK1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES GMPS, GLS, QPCT IP6K1 3523/4885PDGFRB 1811/4885PDGFRA 1962/4885

“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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