SCHEMBL24345188

SCHEMBL24345188

CCOC(=O)c1c(-c2c(CO)n(C(C)C)c3ncnc(NCc4ccc(OC)cc4OC)c23)noc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 8/20 0.41
▸ CYP3A4 P08684 8/20 0.41
▸ CYP2C19 P33261 8/20 0.41
▸ CYP2D6 P10635 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ USP2 O75604 5/20 0.39
▸ CLK4 Q9HAZ1 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ RET P07949 2/20 0.38
▸ SLC26A6 Q9BXS9 1/20 0.37
▸ HSD17B10 Q99714 5/20 0.35
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 4/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ ALOX15 P16050 2/20 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
SCHEMBL24345334 0.95 CYP1A2 (0.41) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21801365 0.91 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21801581 0.91 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21801583 0.90 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24490646 0.89 CYP1A2 (0.40) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21801374 0.86 CYP1A2 (0.38) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21801377 0.85 CYP1A2 (0.38) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21178737 0.85 RET (0.48) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL28650199 0.84 CYP1A2 (0.38) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL28655516 0.82 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1

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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 — — 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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK MAPT 318/4885CYP1A2 3948/4885CYP3A4 4163/4885

“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.

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