SCHEMBL20570873

SCHEMBL20570873

Nc1nc(-c2cccc(F)c2F)c(-c2cccc(F)c2F)nc1N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
MPL P40238 3/20 0.42
REV1 Q9UBZ9 1/20 0.42
BCAT1 P54687 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 3/20 0.40
ADORA2A P29274 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
DPP4 P27487 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL20569929 0.83 ADORA2A (0.55) MPLADORA2ADPP4KDM4EALDH1A1
SCHEMBL29256283 0.81 PIK3R1 (0.44) PTPN11MPLREV1BCAT1DYRK1A
SCHEMBL30883063 0.81 PIK3R1 (0.44) PTPN11MPLREV1BCAT1DYRK1A
SCHEMBL28092741 0.80 PTPN11 (0.46) PTPN11MPLREV1BCAT1DYRK1A
SCHEMBL4012175 0.80 CYP2D6 (0.57) PTPN11MPLREV1BCAT1DYRK1A
SCHEMBL3038641 0.79 CES2 (0.46) MPLBCAT1CCNE2CCNE1CDK2
SCHEMBL28658223 0.77 MPL (0.49) PTPN11MPLSMN1; SMN2DYRK1APIK3R1
SCHEMBL2496171 0.76 MPL (0.38) PTPN11MPLREV1BCAT1SMN1; SMN2
SCHEMBL9131702 0.75 ADORA2A (0.41) PTPN11MPLREV1SMN1; SMN2DYRK1A
SCHEMBL398474 0.74 ALDH1A1 (0.59) MPLREV1SMN1; SMN2ADORA2AKDM4E

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-11896591-B2 Compositions and methods for preparing and using mitochondrial uncouplers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-02-13 US disclosed
US-20200323846-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINA PATENT FOUNDATION (US) 2020-10-15 US disclosed
EP-3630115-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS University Of Virginia Patent Foundation (US) 2020-04-08 EP disclosed
WO-2018217757-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-11-29 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-11896591-B2 Compositions and methods for preparing and using mitochondrial uncouplers ACAD9, GPR119, NDUFAF1 PTPN11 475/4885MPL 4437/4885REV1 2907/4885
US-20200323846-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS ACAD9, GPR119, NDUFAF1 PTPN11 475/4885MPL 4437/4885REV1 2907/4885

“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.