SCHEMBL803432

SCHEMBL803432

CC(C)(C)c1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
POLQ O75417 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL803427 0.91 RAB9A (0.41) MAPK1CYP3A4TSHRTDP1RAB9A
SCHEMBL3789153 0.86 CYP3A4 (0.52) MAPK1CYP3A4TSHRTDP1RAB9A
SCHEMBL13403326 0.86 MAPK1 (0.46) MAPK1CYP3A4TSHRTDP1CYP1A2
SCHEMBL11119102 0.80 CYP3A4 (0.58) MAPK1CYP3A4TSHRTDP1RAB9A
SCHEMBL6763833 0.77 MAPK1 (0.39) MAPK1CYP3A4TSHRTDP1CYP1A2
SCHEMBL8221055 0.76 IDO1 (0.44) MRGPRX4
SCHEMBL12773798 0.76 SMN1; SMN2 (0.43) TSHRTDP1CYP1A2CYP2C19HTT
SCHEMBL8220447 0.76 PDE2A (0.49) MAPK1CYP3A4TSHRCYP2D6POLQ
SCHEMBL1690351 0.76 HDAC3 (0.42) MAPK1CYP3A4TSHRTDP1HTT
SCHEMBL12773797 0.76 KIF11 (0.46) TSHRTDP1RAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230136177-A1 IMMUNOMODULATING O-HET/ARYL AZALIDES ZOETIS SERVICES LLC 2023-05-04 US disclosed
US-20230136177-A1 IMMUNOMODULATING O-HET/ARYL AZALIDES ZOETIS SERVICES LLC 2023-05-04 US disclosed
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 US disclosed
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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 (14 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B MAPK1 2324/4885CYP3A4 647/4885TSHR 4759/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B MAPK1 2324/4885CYP3A4 647/4885TSHR 4759/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 MAPK1 98/4885CYP3A4 769/4885TSHR 4275/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR MAPK1 2889/4885CYP3A4 125/4885TSHR 3236/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 MAPK1 98/4885CYP3A4 769/4885TSHR 4275/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 MAPK1 478/4885CYP3A4 4035/4885TSHR 1868/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 MAPK1 2393/4885CYP3A4 1921/4885TSHR 584/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 MAPK1 3608/4885CYP3A4 1050/4885TSHR 384/4885
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 MAPK1 309/4885CYP3A4 1483/4885TSHR 3059/4885
US-20230136177-A1 IMMUNOMODULATING O-HET/ARYL AZALIDES IL2, MALT1, IL2RA MAPK1 1240/4885CYP3A4 289/4885TSHR 1835/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 MAPK1 2393/4885CYP3A4 1921/4885TSHR 584/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 MAPK1 309/4885CYP3A4 1483/4885TSHR 3059/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 MAPK1 1655/4885CYP3A4 954/4885TSHR 1388/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPK1 1137/4885CYP3A4 2055/4885TSHR 586/4885

“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.