SCHEMBL3922737

SCHEMBL3922737

c1ccc2[nH]c(-c3ccc(Oc4ccc5c(c4)OCO5)cc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 5/20 0.67
▸ KDM4E B2RXH2 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ PKM P14618 1/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TNKS O95271 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52

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
SCHEMBL3341124 0.86 PARP1 (0.67) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL3417342 0.83 KDM4E (0.76) CHEK2KDM4EMAPTRAB9AKMT2A
SCHEMBL14434505 0.80 CHEK2 (0.66) CHEK2KDM4EMAPTRAB9APOLB
SCHEMBL5253625 0.80 CHEK2 (0.69) CHEK2KDM4EMAPTRAB9AMEN1
SCHEMBL3925642 0.80 CHEK2 (0.85) CHEK2MEN1KMT2A
SCHEMBL3335320 0.80 KDM4E (0.71) CHEK2KDM4EMAPTRAB9AKMT2A
SCHEMBL3569207 0.79 KDM4E (0.75) CHEK2KDM4EMAPTRAB9AMEN1
SCHEMBL5636118 0.78 CHEK2 (0.63) CHEK2KDM4EMAPTRAB9APOLB
SCHEMBL7395837 0.78 HDAC6 (0.59) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL5634377 0.77 CHEK2 (0.64) CHEK2KDM4EMAPTRAB9AMEN1

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-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 — — US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 — — US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 — — US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 — — 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885KDM4E 3815/4885MAPT 4562/4885

“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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