SCHEMBL14819956

SCHEMBL14819956

CSc1cnc2c(N)nc(N)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ PIK3CG P48736 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL14820260 0.85 ADORA1 (0.35) KDM4EALDH1A1LMNAADORA2A
SCHEMBL14805680 0.82 KDM4E (0.42) KDM4EADORA2AKCNH2HRH4HRH3
SCHEMBL14820286 0.81 HRH4 (0.39) KCNH2HRH4HRH3
SCHEMBL20780662 0.77 CCR1 (0.45) KDM4EADORA2ADHFR
SCHEMBL10375776 0.76 DHFR (0.42) ADORA2APIK3CGHRH4HRH3DHFR
SCHEMBL14820261 0.74 DHFR (0.53) KDM4ELMNADHFR
SCHEMBL22256188 0.73 HTT (0.45) ADORA2APIK3CGHRH4DHFR
SCHEMBL20145315 0.73 TLR8 (0.44) ADORA2APIK3CGDHFR
SCHEMBL1219738 0.73 TLR8 (0.44) ADORA2APIK3CGDHFR
SCHEMBL24506585 0.72 KDM4E (0.40) KDM4EADORA2AKCNH2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 — — US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KDM4E 1199/4885ALDH1A1 2837/4885LMNA 981/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KDM4E 1199/4885ALDH1A1 2837/4885LMNA 981/4885

“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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