SCHEMBL15840904

SCHEMBL15840904

CC1(C)OC(C)(C)c2c1c(=O)nc1c3cccnc3c(-c3ccccc3)cn21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CKS1B P61024 2/20 0.33
SKP2 Q13309 2/20 0.33
GLO1 Q04760 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TOP1 P11387 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CCNT1 O60563 1/20 0.30

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
SCHEMBL15841004 0.88 BRD4 (0.38) BRD4CDK2
SCHEMBL15840945 0.86 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19HPGDKDM4E
SCHEMBL15840947 0.77 CASP3 (0.31) ALDH1A1HPGDKDM4E
SCHEMBL15840933 0.75 HSD11B1 (0.43) ALDH1A1MEN1KMT2ALMNA
SCHEMBL21477511 0.74 ALDH1A1 (0.33) ALDH1A1TSHRCYP2C19CKS1BSKP2
SCHEMBL17298924 0.73 ELANE (0.35) ALDH1A1TSHRHPGDKDM4EMEN1
SCHEMBL15840953 0.73 CA1 (0.34) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15840956 0.73 PRKDC (0.42) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL15841074 0.71 TOP1 (0.39) ALDH1A1TSHRCYP2C19CKS1BSKP2
SCHEMBL12072954 0.69 TOP1 (0.35) TSHRCYP2C19CKS1BSKP2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO 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 (2 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885TSHR 4496/4885CYP2C19 2753/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885TSHR 4496/4885CYP2C19 2753/4885

“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.