SCHEMBL22822809

SCHEMBL22822809

CNCCOc1ccc(-c2cc(-c3n[nH]cc3-c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.40
ACVR1B P36896 1/20 0.40
MAPK14 Q16539 5/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDR P35968 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL29528228 0.92 TGFBR1 (0.41) TGFBR1ACVR1BMAPK14KDRCDC7
SCHEMBL21932018 0.92 TGFBR1 (0.41) TGFBR1ACVR1BMAPK14KDRCDC7
SCHEMBL23873733 0.89 CYP1A2 (0.44) TGFBR1ACVR1BMAPK14CYP1A2CYP2D6
SCHEMBL21998930 0.89 TGFBR1 (0.48) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL29528202 0.84 TGFBR1 (0.49) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL21932036 0.84 TGFBR1 (0.49) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL28552520 0.83 TGFBR1 (0.42) TGFBR1ACVR1BMAPK14KDR
SCHEMBL5907478 0.83 TGFBR1 (0.56) TGFBR1
Hydrochloric Acid SCHEMBL21932094 0.83 TGFBR1 (0.48) TGFBR1ACVR1BCYP1A2CYP2D6CYP19A1
SCHEMBL5907484 0.77 TGFBR1 (0.50) TGFBR1MAPK14KDR

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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
WO-2020256721-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-12-24 WO disclosed
WO-2020256751-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-12-24 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 (1 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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885MAPK14 2643/4885

“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.