SCHEMBL18512007

SCHEMBL18512007

COc1ccc(Cl)nc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
SSTR4 P31391 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.33
PDE5A O76074 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
BRD4 O60885 1/20 0.32
ROCK2 O75116 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
SCHEMBL18512016 0.86 KMT2A (0.36) PDE4BSSTR4LMNAKMT2AP2RX3
SCHEMBL18512018 0.84 TLR9 (0.39) LMNAKMT2AKDM4E
SCHEMBL18512267 0.82 CA1 (0.47) PDE4BLMNAKMT2AKDM4E
SCHEMBL18511996 0.82 CA1 (0.47) PDE4BLMNAKMT2AKDM4E
SCHEMBL18512264 0.82 CA1 (0.47) PDE4BLMNAKMT2AKDM4E
SCHEMBL18512015 0.72 KMT2A (0.44) SSTR4KMT2A
SCHEMBL29318139 0.72 AAK1 (0.38) PDE4BLMNAKMT2AROCK2
SCHEMBL29318567 0.71 TSHR (0.42) PDE4BLMNAKMT2AKDM4E
SCHEMBL18512337 0.70 KMT2A (0.39) KMT2AP2RX3
SCHEMBL12894946 0.70 SLC9A1 (0.50) LMNATP53

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-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L PDE4B 671/4885SSTR4 4500/4885LMNA 2206/4885

“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.