SCHEMBL502591

SCHEMBL502591

COC(=O)Cc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
ALDH1A1 P00352 7/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 2/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL31001012 0.88 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1626207 0.88 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1817138 0.84 POLB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9156278 0.84 ALDH1A1 (0.58) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL30664602 0.84 LMNA (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14439930 0.84 POLB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2556486 0.84 LMNA (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL502270 0.83 CYP1A2 (0.64) ALDH1A1TSHRTDP1KMT2APOLB
SCHEMBL4098621 0.82 PDGFRB (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28030531 0.82 ALDH1A1 (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
EP-3573961-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2023-10-25 EP disclosed
CN-106336382-B 4-saturated cyclic substituted aniline protein kinase inhibitor 杭州雷索药业有限公司 2022-04-05 CN disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
EP-3902796-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER Nexys Therapeutics, Inc. (US) 2021-11-03 EP disclosed
CN-113348167-A (pyridin-2-yl) amine derivatives as TGF-beta R1(ALK5) inhibitors for the treatment of cancer 奈可萨斯医药有限公司 2021-09-03 CN disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008051757-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-05-02 WO disclosed
WO-2008051757-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-05-02 WO disclosed
WO-2007134259-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-11-22 WO disclosed
WO-2007134259-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-11-22 WO disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 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 (6 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 PDGFRB 12/4885FGFR1 20/4885PDGFRA 13/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC PDGFRB 150/4885FGFR1 76/4885PDGFRA 183/4885
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC PDGFRB 53/4885FGFR1 34/4885PDGFRA 56/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 PDGFRB 15/4885FGFR1 18/4885PDGFRA 19/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 PDGFRB 12/4885FGFR1 20/4885PDGFRA 13/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA PDGFRB 997/4885FGFR1 650/4885PDGFRA 1530/4885

“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.