SCHEMBL671445

SCHEMBL671445

O=Cc1c[nH]c2cccc(-c3ccc(F)cc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
NR4A2 P43354 1/20 0.47
ABL1 P00519 3/20 0.46
KDR P35968 2/20 0.46
PDGFRB P09619 2/20 0.46
MET P08581 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46

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
SCHEMBL2536640 0.86 CYP2A6 (0.58) CYP2A6MAPK9CLK4IMPDH2PIM1
SCHEMBL15332050 0.85 CYP2A6 (0.51) CYP2A6KDRMETMAP4K4PRKACA
SCHEMBL29954181 0.82 CYP2A6 (0.54) CYP2A6GSK3BDYRK1AIMPDH2PIM1
SCHEMBL1430067 0.81 ALDH1A1 (0.50) CYP2A6ABL1KDRPDGFRBDYRK1A
SCHEMBL1429453 0.80 CYP2A6 (0.49) CYP2A6ABL1KDRDAPK3PRKD3
SCHEMBL15331057 0.80 CYP2A6 (0.55) CYP2A6IMPDH2PIM1PIM3PIM2
SCHEMBL29935968 0.77 CYP2A6 (0.64) CYP2A6IMPDH2PIM1PIM3PIM2
SCHEMBL1092485 0.77 CYP2A6 (0.64) CYP2A6IMPDH2PIM1PIM3PIM2
SCHEMBL15329804 0.76 TRIM24 (0.54) CYP2A6NR4A2KDRIMPDH2PTGS2
SCHEMBL29956756 0.75 CYP2A6 (0.50) CYP2A6GSK3BDYRK1AIMPDH2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 CYP2A6 1930/4885NR4A2 513/4885ABL1 4550/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 CYP2A6 2727/4885NR4A2 628/4885ABL1 4618/4885

“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.