SCHEMBL373334

SCHEMBL373334

c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.69
ACVR1B P36896 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
NFE2L2 Q16236 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL21932037 0.85 TGFBR1 (0.66) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL22258967 0.82 TGFBR1 (0.46) TGFBR1HRH3
SCHEMBL373363 0.82 TGFBR1 (0.69) TGFBR1ACVR1BHRH3PRKAB2PRKAG1
SCHEMBL29528202 0.80 TGFBR1 (0.49) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL21932036 0.80 TGFBR1 (0.49) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL410420 0.80 TGFBR1 (0.67) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL21932094 0.79 TGFBR1 (0.48) TGFBR1ACVR1BHRH3CYP1A2CYP2D6
SCHEMBL6180820 0.79 TGFBR1 (0.48) TGFBR1
Gw679410X SCHEMBL376414 0.78 TGFBR1 (0.63) TGFBR1ACVR1B
SCHEMBL373364 0.78 TGFBR1 (0.70) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987558-B1 ALK5 inhibitors and their uses SYNTHIS THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2023-05-04 US disclosed
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF SYNTHIS THERAPEUTICS, INC. (US) 2023-03-23 US disclosed
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses SYNTHIS THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2021-09-30 US disclosed
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-05-14 US disclosed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP 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 (8 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-11987558-B1 ALK5 inhibitors and their uses ALK, ALKBH3, ALKBH5 TGFBR1 106/4885ACVR1B 9/4885HRH3 2160/4885
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885HRH3 848/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885HRH3 848/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885ACVR1B 205/4885HRH3 519/4885
US-20230090552-A1 ALK5 INHIBITOR CONJUGATES AND USES THEREOF ALK, ALKBH5, ALKBH3 TGFBR1 75/4885ACVR1B 24/4885HRH3 1423/4885
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885HRH3 848/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885HRH3 848/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885HRH3 848/4885

“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.