SCHEMBL21714657

SCHEMBL21714657

CN(C)c1ccc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SLC27A1 Q6PCB7 1/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
TP53 P04637 1/20 0.40
CCKAR P32238 1/20 0.39
NTRK1 P04629 1/20 0.39
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL31091138 0.81 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21715166 0.81 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5750395 0.79 SMN1; SMN2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL22768015 0.77 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5751904 0.76 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5751693 0.75 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5751095 0.74 SMO (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21714659 0.72 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL31091139 0.72 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21715157 0.71 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299117-A1 SMAD3 Inhibitors MOEXA PHARMACEUTICALS LIMITED (HK) 2021-09-30 US claimed
US-12090149-B2 SMAD3 inhibitors MOEXA PHARMACEUTICALS LIMITED (CN) 2024-09-17 US disclosed
US-20210299117-A1 SMAD3 Inhibitors MOEXA PHARMACEUTICALS LIMITED (HK) 2021-09-30 US disclosed
US-20210299117-A1 SMAD3 Inhibitors MOEXA PHARMACEUTICALS LIMITED (HK) 2021-09-30 US disclosed
WO-2020029980-A1 SMAD3 INHIBITORS MOEXA PHARMACEUTICALS LIMITED (CN) 2020-02-13 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 (2 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-12090149-B2 SMAD3 inhibitors SMAD3, SMAD2, STAT3 CYP1A2 4056/4885CYP2C9 4284/4885CYP2C19 4319/4885
US-20210299117-A1 SMAD3 Inhibitors SMAD3, SMAD2, STAT3 CYP1A2 4056/4885CYP2C9 4284/4885CYP2C19 4319/4885

“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.