SCHEMBL21998930

SCHEMBL21998930

CNCCOc1ccc(-c2cc(-c3n[nH]cc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.48
ACVR1B P36896 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
HPGD P15428 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
SCHEMBL29528202 0.93 TGFBR1 (0.49) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL21932036 0.93 TGFBR1 (0.49) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL21932094 0.92 TGFBR1 (0.48) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL22822809 0.89 TGFBR1 (0.40) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL29528228 0.83 TGFBR1 (0.41) TGFBR1ACVR1B
SCHEMBL21932018 0.83 TGFBR1 (0.41) TGFBR1ACVR1B
SCHEMBL21932037 0.78 TGFBR1 (0.66) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL410420 0.78 TGFBR1 (0.67) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL23873733 0.77 CYP1A2 (0.44) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL373364 0.75 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2023-05-04 US disclosed
US-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses SYNTHIS THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-05-14 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 (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-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885CYP1A2 2565/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885CYP1A2 2565/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885CYP1A2 2565/4885

“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.