SCHEMBL20061337

SCHEMBL20061337

Cc1cc2cc(F)ccc2nc1[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL20061339 0.88 KDM4E (0.40) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL10147642 0.86 TSHR (0.40) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL1694635 0.86 TSHR (0.40) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL10146918 0.84 TSHR (0.57) KDM4EALDH1A1HPGDTSHR
SCHEMBL28913544 0.81 LIPG (0.36) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL28913545 0.81 LIPG (0.36) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL3772446 0.80 PIK3CD (0.52) AAK1
SCHEMBL20061338 0.80 PIK3CD (0.52) AAK1
SCHEMBL20081299 0.79 AAK1 (0.36) MEN1THRBKMT2AKDM4EALDH1A1
SCHEMBL13063146 0.78 PIK3CD (0.46) MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 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 (1 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK MEN1 913/4885THRB 3861/4885KMT2A 1827/4885

“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.