SCHEMBL1072609

SCHEMBL1072609

C=CCn1cc(C)c2c3ccccc3nc(O[C@H]3CN[C@H](C(=O)OC)C3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.42
PIM1 P11309 1/20 0.38
P2RX3 P56373 1/20 0.33
KDR P35968 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM2 Q9P1W9 1/20 0.31
CNR2 P34972 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12934515 1.00 CHEK2 (0.42) CHEK2PIM1P2RX3KDRMEN1
SCHEMBL15397447 0.93 CHEK2 (0.33) CHEK2PIM1MEN1KMT2AKDM4E
SCHEMBL12934513 0.79 P2RX3 (0.38) P2RX3KDM4EALDH1A1GAAMAPT
SCHEMBL1072610 0.79 PTGER4 (0.31) MEN1KMT2ACNR2
SCHEMBL15397455 0.78 AGTR2 (0.31) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL20309994 0.76 ADORA3 (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1260179 0.76 MEN1 (0.43) CHEK2PIM1P2RX3MEN1KMT2A
SCHEMBL14979874 0.74 CHEK2 (0.40) CHEK2PIM1P2RX3KDRKDM4E
SCHEMBL15096209 0.73 CHEK2 (0.39) CHEK2PIM1P2RX3KDRALDH1A1
SCHEMBL1070739 0.72 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 CHEK2 4346/4885PIM1 2724/4885P2RX3 3817/4885

“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.