SCHEMBL5670751

SCHEMBL5670751

O=C(S)c1cccnc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
BLM P54132 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
CYP2A6 P11509 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 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
SCHEMBL29693966 0.84 KDM4E (0.71) KDM4ETDP1LMNACCR1CCR5
SCHEMBL646624 0.84 KDM4E (0.71) KDM4ETDP1LMNACCR1CCR5
SCHEMBL30423417 0.82 KDM4E (0.48) KDM4ETDP1LMNACCR1CCR5
SCHEMBL28561077 0.82 KDM4E (0.69) KDM4ETDP1LMNACCR1CCR5
SCHEMBL11517070 0.82 KDM4E (0.48) KDM4ETDP1LMNACCR1CCR5
SCHEMBL3620548 0.82 GRM5 (0.51) KDM4ETDP1LMNACCR1CCR5
SCHEMBL14670506 0.82 KDM4E (0.48) KDM4ETDP1LMNACCR1CCR5
SCHEMBL31214633 0.82 KDM4E (0.69) KDM4ETDP1LMNACCR1CCR5
SCHEMBL2384672 0.82 KDM4E (0.69) KDM4ETDP1LMNACCR1CCR5
SCHEMBL28291927 0.82 KDM4E (0.69) KDM4ETDP1LMNACCR1CCR5

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 1703/4885TDP1 99/4885LMNA 3732/4885

“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.