SCHEMBL20073201

SCHEMBL20073201

Cc1ccc(C(=O)NCCN2CCOCC2)cc1C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CD274 Q9NZQ7 7/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR1A P08908 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KCNH2 Q12809 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP2C9 P11712 1/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL20064055 0.88 KMT2A (0.62) POLBCYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL14435528 0.87 POLB (1.00) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL4168121 0.83 POLB (0.80) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL19175419 0.83 POLB (0.80) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL11478379 0.83 CD274 (0.71) POLBCD274ALDH1A1HTR1AMAOA
SCHEMBL12305581 0.81 SMN1; SMN2 (0.64) POLBCYP2D6CD274ALDH1A1HTR1A
SCHEMBL10203243 0.80 CYP2C19 (0.68) POLBCYP2C19CYP1A2CYP2D6CD274
SCHEMBL280240 0.80 MEN1 (0.76) POLBCYP2C19CD274ALDH1A1HTR1A
SCHEMBL20671965 0.78 CD274 (0.68) POLBCD274ALDH1A1HTR1AMAOA
SCHEMBL279958 0.78 CYP2C19 (0.72) POLBCYP2C19CYP1A2CYP2D6CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 POLB 2025/4885CYP2C19 4486/4885CYP1A2 4730/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 POLB 2025/4885CYP2C19 4486/4885CYP1A2 4730/4885

“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.