SCHEMBL17686758

SCHEMBL17686758

Fc1ccc(-c2cc(C(F)F)n[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.54
KEAP1 Q14145 1/20 0.54
APP P05067 1/20 0.51
RAB9A P51151 1/20 0.46
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41
KIT P10721 2/20 0.40
CDK2 P24941 2/20 0.40
GAK O14976 1/20 0.40
PDGFRB P09619 1/20 0.40
FLT3 P36888 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MARK1 Q9P0L2 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL9920689 0.84 AXL (0.57) AXLKEAP1APPRAB9AKIT
SCHEMBL9052445 0.84 MKNK1 (0.56) RAB9AMKNK2MEN1NPC1KMT2A
SCHEMBL17686764 0.83 NOTUM (0.44) AXLKEAP1APPRAB9A
SCHEMBL31466033 0.81 PDPK1 (0.42) AXLKEAP1RAB9APOLBMAPT
SCHEMBL17686763 0.81 TNIK (0.44) RAB9AMAPK1ATMNPC1KMT2A
SCHEMBL14985510 0.75 RAB9A (0.64) AXLKEAP1APPRAB9AMAPK1
SCHEMBL1702207 0.73 ALDH1A1 (0.67) AXLKEAP1APPRAB9AKIT
SCHEMBL5837879 0.73 AXL (0.58) AXLKEAP1APPRAB9AKIT
SCHEMBL1608472 0.73 RAB9A (0.62) AXLKEAP1APPRAB9AMAPK1
SCHEMBL3488442 0.73 AXL (0.62) AXLKEAP1APPRAB9AKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408314-B Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from α -dihaloamines 拜耳作物科学股份公司 2018-04-24 CN disclosed
EP-2999694-B1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES BAYER CROPSCIENCE AG (DE) 2017-05-17 EP disclosed
US-9512081-B2 Process for preparing 3,5-bis(fluoroalkyl)pyrazole derivatives from α,α-dihaloamines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
CN-105408314-A Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from alpha, alpha-dihaloamines BAYER CROPSCIENCE AG 2016-03-16 CN 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-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES HDHD5, CYP4F3, AADAC AXL 2752/4885KEAP1 1020/4885APP 1381/4885

“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.