SCHEMBL17838017

SCHEMBL17838017

O=C(OC[C@H]1CC1(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
CES2 O00748 1/20 0.44
F2 P00734 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL17837383 1.00 TDP1 (0.50) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8351978 0.85 TDP1 (0.54) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8447125 0.83 CES2 (0.48) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL32680514 0.82 TDP1 (0.63) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL8448905 0.81 CES2 (0.46) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8447584 0.81 CES2 (0.46) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL32680494 0.81 TDP1 (0.61) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9396791 0.80 CHRNB2 (0.47) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL9396786 0.80 CHRNB2 (0.44) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12993288 0.79 NPC1 (0.46) TDP1CHRNB2CHRNA5CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK TDP1 3792/4885CHRNB2 3939/4885CHRNA5 4396/4885

“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.