SCHEMBL444746

SCHEMBL444746

COc1ccc2ncc(F)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.58
PDGFRA P16234 7/20 0.58
ALDH1A1 P00352 2/20 0.58
F2 P00734 1/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 1/20 0.58
EGFR P00533 3/20 0.57
NCF1 P14598 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.44
HPGDS O60760 1/20 0.44
NQO1 P15559 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
SCHEMBL4371627 0.86 HPGDS (0.59) PDGFRBPDGFRAALDH1A1EGFRNCF1
SCHEMBL17585451 0.86 PDGFRB (0.54) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL7028923 0.85 ALDH1A1 (0.70) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL15648249 0.83 PDE3B (0.47) PDGFRBPDGFRAALDH1A1HPGDNPC1
SCHEMBL434861 0.80 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL9156972 0.79 ALDH1A1 (0.62) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL621672 0.79 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL27918947 0.79 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL1928147 0.79 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL27930034 0.79 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695964-A1 Quinoline derivatives for use as intermediates in the synthesis of heterocyclylalcoyl piperidines NOVEXEL (FR) 2006-08-30 EP claimed
US-6903217-B2 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2005-06-07 US claimed
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-1370550-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-12-17 EP disclosed
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them AVENTIS PHARMA S.A. 2003-09-11 US disclosed
EP-1337529-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-08-27 EP disclosed
US-6603005-B2 Bactericides AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-6602884-B2 Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them NOVEXEL (FR) 2002-11-28 US disclosed
WO-2002072572-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2002-09-19 WO disclosed
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them NOVEXEL (FR) 2002-08-15 US disclosed
WO-2002040474-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-05-23 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 (5 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-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 PDGFRB 3444/4885PDGFRA 2639/4885ALDH1A1 838/4885
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 PDGFRB 4560/4885PDGFRA 4124/4885ALDH1A1 1808/4885
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof TOP2A, TOP1, TOP2B PDGFRB 3565/4885PDGFRA 3830/4885ALDH1A1 3195/4885
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF TOP2A, TOP1, TOP2B PDGFRB 3565/4885PDGFRA 3830/4885ALDH1A1 3195/4885
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 PDGFRB 4560/4885PDGFRA 4124/4885ALDH1A1 1808/4885

“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.