SCHEMBL23344184

SCHEMBL23344184

CC(C)n1nnc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DYRK1A Q13627 2/20 0.38
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK14 Q16539 1/20 0.37
PDE2A O00408 2/20 0.37
CLK1 P49759 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CCNT1 O60563 7/20 0.34
CDK9 P50750 7/20 0.34

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
SCHEMBL20830015 0.85 ALDH1A1 (0.49) HPGDHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL24422182 0.80 HCAR3 (0.38) HCAR3ALDH1A1SMN1; SMN2DYRK1APDE2A
SCHEMBL1083846 0.75 ALDH1A1 (0.58) HPGDHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL10328043 0.75 SLC9A1 (0.55) HPGDHCAR3ALDH1A1DYRK1ANFATC1
SCHEMBL7017031 0.71 POLB (0.55) ALDH1A1CYP1A2PDE2AKDM4ESLC9A1
SCHEMBL19191102 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A2DYRK1ANFATC1GSK3B
SCHEMBL7485062 0.71 ALDH1A1 (0.55) ALDH1A1CYP1A2PDE2AKDM4ECDK2
SCHEMBL23523969 0.70 HPGD (0.41) HPGDHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL9911126 0.70 SLC9A1 (0.59) HCAR3ALDH1A1DYRK1ACLK1KDM4E
SCHEMBL10295524 0.70 HCAR3 (0.44) HCAR3ALDH1A1CYP1A2DYRK1ANFATC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 US disclosed
US-20210139530-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-05-13 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 (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-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof GABRR1, GABRB1, GABRD HPGD 516/4885HCAR3 1396/4885HCAR2 805/4885
US-20210139530-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF GABRD, GABRR1, GABRA1 HPGD 553/4885HCAR3 1160/4885HCAR2 701/4885

“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.