SCHEMBL982064

SCHEMBL982064

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(C)=O)CC4)c[nH]c23)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.37
MAP3K6 O95382 2/20 0.37
LRRK2 Q5S007 2/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MDM4 O15151 1/20 0.36
HPGDS O60760 1/20 0.35
MCHR1 Q99705 1/20 0.35
DYRK1A Q13627 2/20 0.35
CDK9 P50750 2/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
BTK Q06187 1/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL984278 0.97 MAP3K5 (0.37) MAP3K5MAP3K6LRRK2KMT2AKDM4E
SCHEMBL981875 0.96 MDM4 (0.39) MAP3K5MAP3K6LRRK2KMT2AKDM4E
SCHEMBL984909 0.93 MDM4 (0.39) MAP3K5MAP3K6LRRK2MDM4MCHR1
SCHEMBL982596 0.93 MAP3K5 (0.36) MAP3K5MAP3K6LRRK2KMT2AKDM4E
SCHEMBL981843 0.93 EPHX2 (0.38) MAP3K5MAP3K6LRRK2KMT2AKDM4E
SCHEMBL981991 0.92 DHODH (0.35) MAP3K5MAP3K6LRRK2EGFRKDR
SCHEMBL984895 0.92 BTK (0.39) MAP3K5MAP3K6LRRK2KMT2AKDM4E
SCHEMBL985732 0.92 KDR (0.37) MAP3K5MAP3K6LRRK2HPGDSEGFR
SCHEMBL984603 0.91 MDM4 (0.36) MAP3K5MAP3K6LRRK2MDM4CDK9
SCHEMBL984729 0.91 MDM4 (0.36) MAP3K5MAP3K6LRRK2MDM4CDK9

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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MAP3K5 1564/4885MAP3K6 2724/4885LRRK2 4219/4885

“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.