SCHEMBL12327989

SCHEMBL12327989

Cc1cnc2ccc3nc(C(C)C)[nH]c3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL12294455 0.85 HSD17B10 (0.40) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL12327738 0.81 CYP1A2 (0.46) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL15045589 0.81 CYP1A2 (0.42) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL13561605 0.81 CCR1 (0.51) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL13561488 0.78 HSD17B10 (0.39) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL13561542 0.78 CYP1A2 (0.40) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL10141001 0.77 CYP1A2 (0.45) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL15042816 0.76 KDM4E (0.50) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL12294462 0.75 HSD17B10 (0.39) KDM4EHSD17B10LMNACYP1A2ALDH1A1
SCHEMBL15045567 0.73 CYP1A2 (0.41) KDM4ECYP1A2ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 — — 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-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S KDM4E 3580/4885HSD17B10 980/4885LMNA 261/4885

“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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