Sugi Predict

Sugi Predict / Compounds / SCHEMBL6911325

SCHEMBL6911325

SCHEMBL6911325

Cn1ccnc1-c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ HTR2C P28335 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HDAC4 P56524 1/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MC4R P32245 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL14960634 0.86 BRD4 (0.53) HSD11B1BRD4CCNE2CCNE1CDK2
SCHEMBL28197158 0.81 CCNE2 (0.48) HSD11B1CCNE2CCNE1CDK2ADRA1A
SCHEMBL27589731 0.80 BRD4 (0.42) BRD4HTR2CHTR2AHDAC4IDO1
SCHEMBL12277425 0.80 CCNE2 (0.42) HSD11B1CCNE2CCNE1CDK2IDO1
Hydrochloric Acid SCHEMBL4345829 0.76 BRD4 (0.57) BRD4HTR2CHTR2AHDAC4ADRA1D
SCHEMBL14412224 0.74 BRD4 (0.44) BRD4HTR2CHTR2AHDAC4ADRA1D
SCHEMBL13587950 0.74 BRD4 (0.56) BRD4HTR2CHTR2AADRA1DADRA1A
SCHEMBL27467964 0.72 HSD11B1 (0.50) HSD11B1LMNAADORA2AADORA1LRRK2
SCHEMBL5486071 0.72 HTR2C (0.66) BRD4HTR2CHTR2AADRA1DADRA1A
SCHEMBL31439827 0.72 BRD4 (0.43) HSD11B1BRD4HTR2CHTR2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 — — US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 — — WO 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E HSD11B1 3229/4885BRD4 837/4885CCNE2 958/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E HSD11B1 3214/4885BRD4 842/4885CCNE2 959/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E HSD11B1 3214/4885BRD4 842/4885CCNE2 959/4885

“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.