SCHEMBL4502203

SCHEMBL4502203

CC(C)NC(=O)c1cnn2c(N[C@H](C)C(C)C)c(-c3c(F)cccc3Cl)c(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 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
SCHEMBL4509127 0.91 TP53 (0.43) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL4494543 0.90 KDM4E (0.41) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL14359757 0.74 TP53 (0.35) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL4507101 0.74 KDM4E (0.46) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL13606405 0.73 KDM4E (0.46) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL6112108 0.72 PDE2A (0.38) TP53
SCHEMBL4693069 0.70 PDE2A (0.41) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL14360022 0.70 ALDH1A1 (0.37) TP53LMNAALDH1A1KDM4EHPGD
SCHEMBL4509045 0.68 PIM1 (0.35) ALDH1A1KDM4EPDE4BMAPTHSD17B10
SCHEMBL3713237 0.68 KDM4E (0.48) TP53LMNAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 TP53 3122/4885LMNA 3788/4885ALDH1A1 535/4885

“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.