SCHEMBL24500069

SCHEMBL24500069

COc1ccc(COCCNC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ CSNK1D P48730 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ DRD2 P14416 4/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PDE5A O76074 1/20 0.33

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
SCHEMBL22425870 0.89 CSNK1D (0.38) ALDH1A1CSNK1DMAPK1POLBKDM4E
SCHEMBL22425935 0.87 ALDH1A1 (0.35) ALDH1A1CSNK1DMAPK1LMNASMN1; SMN2
SCHEMBL22425827 0.87 ALDH1A1 (0.35) ALDH1A1CSNK1DMAPK1LMNASMN1; SMN2
SCHEMBL24500833 0.84 ALDH1A1 (0.35) ALDH1A1CSNK1DMAPK1LMNASMN1; SMN2
SCHEMBL20697290 0.81 ALDH1A1 (0.41) ALDH1A1CSNK1DMAPK1LMNAPOLB
SCHEMBL24500702 0.80 P2RX3 (0.33) ALDH1A1
SCHEMBL22426017 0.79 P2RX3 (0.35) CSNK1DLMNADRD2DRD4DRD3
SCHEMBL24500567 0.79 KDM4E (0.32) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL21246014 0.79 TP53 (0.46) ALDH1A1CSNK1DLMNAPOLBKDM4E
SCHEMBL24500709 0.79 PDE2A (0.35) ALDH1A1CSNK1DMAPK1LMNASMN1; SMN2

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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ALDH1A1 4098/4885CSNK1D 822/4885MAPK1 218/4885

“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