SCHEMBL24353229

SCHEMBL24353229

COc1cccc(CN(C)Cc2nc(NCc3cccc(C)c3)c3c(C)c(C)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL18456744 1.00 ALDH1A1 (0.43) ALDH1A1LMNACLK4CYP1A2CYP3A4
SCHEMBL24353221 0.96 PDE4A (0.45) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL18457212 0.93 MEN1 (0.42) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL18457051 0.93 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL24353322 0.93 ALDH1A1 (0.46) ALDH1A1LMNACLK4CYP1A2CYP3A4
SCHEMBL24353215 0.93 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL18457050 0.92 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL24353182 0.92 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24353242 0.91 SMN1; SMN2 (0.43) ALDH1A1LMNAMEN1KMT2APDE4A
SCHEMBL24353177 0.91 SMN1; SMN2 (0.43) ALDH1A1LMNAMEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312690-B2 Compounds, compositions, methods for treating diseases, and methods for preparing compounds UNIVERSITY OF LOUSVILLE RESEARCH FOUNDATION, INC. (US) 2022-04-26 — — 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 (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-11312690-B2 Compounds, compositions, methods for treating diseases, and methods for preparing compounds VHL, C5, KRAS ALDH1A1 475/4885LMNA 838/4885CLK4 3844/4885

“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.

Send feedback