SCHEMBL20143871

SCHEMBL20143871

COc1cc2ncc(C)c(Cl)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.46
ENPP1 P22413 2/20 0.46
SRC P12931 9/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
KDR P35968 3/20 0.45
RET P07949 2/20 0.45
KIF5B P33176 1/20 0.45
FLT1 P17948 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL24117644 0.88 ENPP1 (0.49) PDPK1ENPP1SRCEGFRERBB2
SCHEMBL19645708 0.87 RET (0.42) SRCEGFRERBB2KDRRET
SCHEMBL19645707 0.84 PDGFRB (0.53) PDPK1SRCKDM4EEGFRKDR
SCHEMBL6786274 0.84 SRC (0.48) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL2748840 0.81 EGFR (0.48) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL2747384 0.81 SRC (0.46) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL30288418 0.81 EGFR (0.48) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL6781301 0.81 SRC (0.47) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL256577 0.81 PDPK1 (0.47) PDPK1ENPP1SRCKDM4EALDH1A1
SCHEMBL31716209 0.81 SRC (0.46) PDPK1ENPP1SRCKDM4EALDH1A1

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
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20220194902-A1 Method of Preparing Fluorine-18 Labeled Cabozantinib and Its Analogs EXELIXIS, INC. 2022-06-23 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
EP-3676254-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF AbbVie Inc. (US) 2020-07-08 EP disclosed
CN-111315723-A Extramembranous nucleotide pyrophosphatase-phosphodiesterase 1(ENPP-1) inhibitor and application thereof 艾伯维公司 2020-06-19 CN disclosed
US-20200190032-A1 Malate salt of N-(4-{[6,7-bis(methyloxy) quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms therof for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY 2020-06-18 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 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 (4 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PDPK1 332/4885ENPP1 1/4885SRC 2805/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PDPK1 332/4885ENPP1 1/4885SRC 2805/4885
US-20200190032-A1 Malate salt of N-(4-{[6,7-bis(methyloxy) quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, and crystalline forms therof for the treatment of cancer MDH2, MDH1, SLC25A11 PDPK1 3561/4885ENPP1 3529/4885SRC 1149/4885
US-20220194902-A1 Method of Preparing Fluorine-18 Labeled Cabozantinib and Its Analogs FGFR1, FLT1, PDGFRA PDPK1 110/4885ENPP1 4123/4885SRC 1619/4885

“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.