Sugi Predict

Sugi Predict / Compounds / SCHEMBL12596160

SCHEMBL12596160

SCHEMBL12596160

CCCCOc1c(F)cc(Br)c2c1ccn2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL1163424 0.79 THRB (0.39) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL12596159 0.71 GRIN2D (0.38) THRATHRBCCNB2CCNE2CDK1
SCHEMBL13062423 0.69 CCNB2 (0.46) THRATHRBCCNB2CCNE2CDK1
SCHEMBL12596164 0.69 THRA (0.39) THRATHRBCCNB2CCNE2CDK1
SCHEMBL12596158 0.69 THRB (0.49) THRATHRBCCNB2CCNE2CDK1
SCHEMBL8242910 0.68 THRA (0.47) THRATHRBCCNB2CCNE2CDK1
SCHEMBL20140135 0.66 F2RL1 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL14699864 0.65 LTA4H (0.42) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL17175975 0.63 THRA (0.45) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL878726 0.63 AAK1 (0.39) THRATHRBMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 — — US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 — — US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 — — US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 — — US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 — — 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885CCNB2 2466/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885CCNB2 2466/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885CCNB2 2466/4885

“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.