SCHEMBL5670461

SCHEMBL5670461

O=C(S)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.72
KDM4C Q9H3R0 4/20 0.72
KDM5C P41229 3/20 0.72
KDM6B O15054 2/20 0.72
KDM2A Q9Y2K7 2/20 0.72
KDM3A Q9Y4C1 2/20 0.72
KDM4A O75164 2/20 0.72
LMNA P02545 3/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
P4HTM Q9NXG6 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HA1 P13674 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL29562841 0.84 KDM4C (1.00) KDM4EKDM4CKDM5CKDM6BKDM2A
Dipyridyl SCHEMBL3941503 0.84 KDM4C (1.00) KDM4EKDM4CKDM5CKDM6BKDM2A
SCHEMBL913277 0.84 KDM4C (1.00) KDM4EKDM4CKDM5CKDM6BKDM2A
Dipyridyl SCHEMBL21551506 0.84 KDM4C (1.00) KDM4EKDM4CKDM5CKDM6BKDM2A
Dipyridyl SCHEMBL3954422 0.82 KDM4C (0.96) KDM4EKDM4CKDM5CKDM6BKDM2A
SCHEMBL902063 0.82 KDM4E (0.72) KDM4EKDM4CKDM5CKDM6BKDM2A
Dipyridyl SCHEMBL8358045 0.82 KDM4C (0.96) KDM4EKDM4CKDM5CKDM6BKDM2A
SCHEMBL8967233 0.82 KDM4E (0.72) KDM4EKDM4CKDM5CKDM6BKDM2A
Benzoic Acid SCHEMBL30567494 0.82 KDM4C (0.96) KDM4EKDM4CKDM5CKDM6BKDM2A
Dipyridyl SCHEMBL9559929 0.81 KDM4E (0.70) KDM4EKDM4CKDM5CKDM6BKDM2A

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-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885KDM4C 1410/4885KDM5C 1584/4885

“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.