SCHEMBL22165802

SCHEMBL22165802

CCc1cc(O)c(I)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
DAO P14920 3/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRM1 Q13255 3/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL22165799 0.74 KDM4E (0.37) ALOX15ALOX12MEN1KMT2AESR1
SCHEMBL9432036 0.73 GAA (0.36) ALOX15ALOX12DAOMEN1KMT2A
SCHEMBL22165344 0.71 HSD17B10 (0.37) ALOX15ALOX12MEN1KMT2AKDM4E
SCHEMBL5533494 0.70 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1POLB
Iodide SCHEMBL30896441 0.69 HSD17B10 (0.36) ALOX15ALOX12MEN1KMT2AKDM4E
SCHEMBL1760478 0.67 ALOX15 (0.54) ALOX15ALOX12MEN1KMT2AESR1
SCHEMBL5676149 0.67 ALOX15 (0.68) ALOX15ALOX12MEN1KMT2AESR1
SCHEMBL10392532 0.67 NOS3 (0.39) ALOX15GRM1ALDH1A1
SCHEMBL10737118 0.67 KDM4E (0.39) ALOX15ALOX12MEN1KMT2AKDM4E
SCHEMBL860788 0.67 KMT2A (0.76) ALOX12DAOMEN1KMT2AGRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2020139636-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
WO-2020139636-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2020-07-02 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 (3 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 ALOX15 721/4885ALOX12 1194/4885DAO 1408/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 ALOX15 513/4885ALOX12 1058/4885DAO 1989/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 ALOX15 721/4885ALOX12 1194/4885DAO 1408/4885

“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.