Sugi Predict

Sugi Predict / Compounds / SCHEMBL10077955

SCHEMBL10077955

SCHEMBL10077955

CC(C)c1nncc2cnccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ IMPDH2 P12268 4/20 0.34
▸ KDR P35968 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ LATS1 O95835 4/20 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
SCHEMBL18237726 0.85 HTR2A (0.38) MAPK14KDM4ELMNACYP1A2CYP3A4
SCHEMBL23178888 0.78 MAPK14 (0.35) MAPK14
SCHEMBL5275171 0.77 LMNA (0.47) MAPK14KDM4ELMNACYP1A2CYP3A4
SCHEMBL17705705 0.76 DYRK1A (0.35) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL14134266 0.76 LMNA (0.40) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL31322056 0.75 KDM4E (0.38) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL10084142 0.75 KDM4E (0.38) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL26118478 0.74 ALDH1A1 (0.37) KDM4ELMNACYP1A2CYP2D6HTT
SCHEMBL26117775 0.74 KDM4E (0.33) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL10058362 0.73 MAPK14 (0.44) MAPK14LMNAHTTALDH1A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 — — WO disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — WO disclosed
US-8575166-B2 Phthalazine-containing antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-05 — — US disclosed
US-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2012-01-05 — — US disclosed
WO-2010091176-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2010-08-12 — — 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 (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-20120004234-A1 PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 MAPK14 1927/4885KDM4E 2154/4885LMNA 3629/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MAPK14 4680/4885KDM4E 3060/4885LMNA 3473/4885

“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.