SCHEMBL9936887

SCHEMBL9936887

COC(=O)c1c[nH]c2cncc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.48
CREBBP Q92793 1/20 0.45
AXL P30530 2/20 0.39
MAP2K1 Q02750 1/20 0.39
TSHR P16473 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4532324 0.82 NR4A2 (0.62) NR4A2CREBBPAXLMAP2K1TSHR
SCHEMBL2035795 0.77 NR4A2 (0.68) NR4A2CREBBPMAP2K1
SCHEMBL3348369 0.73 ATM (0.46) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1607800 0.71 NR4A2 (0.62) NR4A2CREBBPAXLMAP2K1KDM4E
SCHEMBL31753965 0.71 NR4A2 (0.62) NR4A2CREBBPAXLMAP2K1KDM4E
SCHEMBL27185747 0.70 ATM (0.44) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL16597349 0.70 NR4A2 (0.49) NR4A2CREBBPAXLMAP2K1TSHR
SCHEMBL22864676 0.70 NR4A2 (0.60) NR4A2CREBBPMAP2K1
SCHEMBL24704112 0.70 MAP2K1 (0.42) NR4A2CREBBPAXLMAP2K1TSHR
SCHEMBL23148064 0.70 HTR6 (0.33)

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 NR4A2 3995/4885CREBBP 3960/4885AXL 4160/4885

“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.