SCHEMBL9937136

SCHEMBL9937136

COC(=O)c1cc(F)nc2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.45
PIM1 P11309 1/20 0.45
CHEK1 O14757 2/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
NUDT1 P36639 1/20 0.43
MAP2K1 Q02750 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PLA2G2A P14555 2/20 0.40
CDK8 P49336 1/20 0.39
NR4A2 P43354 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31347077 0.82 KDM4E (0.58) PIM3PIM1CHEK1TTBK1TTBK2
SCHEMBL2158555 0.82 KDM4E (0.58) PIM3PIM1CHEK1TTBK1TTBK2
SCHEMBL27939078 0.78 SLC22A6 (0.38) KDM4E
SCHEMBL23147921 0.76 BRD4 (0.43)
SCHEMBL29721888 0.76 BRD4 (0.43)
SCHEMBL6586825 0.74 KDM4E (0.68) KDM4EPLA2G2AL3MBTL1MEN1KMT2A
SCHEMBL20692462 0.74 NR4A2 (0.50) PIM3PIM1CHEK1TTBK1TTBK2
SCHEMBL29702772 0.73 NUDT1 (0.73) TTBK1TTBK2NUDT1MAP2K1KDM4E
SCHEMBL1951650 0.73 NUDT1 (0.73) TTBK1TTBK2NUDT1MAP2K1KDM4E
SCHEMBL21632535 0.73 JAK3 (0.46) TTBK1TTBK2NUDT1MAP2K1CDK8

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-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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 (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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 PIM3 863/4885PIM1 420/4885CHEK1 1857/4885

“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.