SCHEMBL27099647

SCHEMBL27099647

CNc1ccnc(-c2cccc(CNc3cc(-c4ccccc4)ccn3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.46
▸ CYP1A2 P05177 12/20 0.46
▸ CYP3A4 P08684 11/20 0.46
▸ CYP2C19 P33261 10/20 0.46
▸ CYP2D6 P10635 10/20 0.46
▸ HSD17B10 Q99714 9/20 0.46
▸ CLK4 Q9HAZ1 8/20 0.46
▸ MAPK1 P28482 7/20 0.46
▸ TSHR P16473 5/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ MAPK14 Q16539 3/20 0.44
▸ USP2 O75604 2/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA2B P08514 1/20 0.42

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
SCHEMBL26739795 0.75 ASIC3 (0.53) TSHRALDH1A1KDM4E
SCHEMBL3230717 0.71 PRMT6 (0.68) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL16285497 0.70 PLK1 (0.50) CYP1A2CYP3A4ALDH1A1PRMT6MAPT
SCHEMBL2480308 0.70 FDPS (0.53) AAK1MAPT
SCHEMBL28116354 0.70 ASIC3 (0.53) —
SCHEMBL12408985 0.70 ASIC3 (0.53) —
SCHEMBL24137789 0.69 NOS2 (0.51) NOS2AAK1CYP1A2CYP3A4CYP2C19
SCHEMBL25633157 0.69 ASIC3 (0.52) —
SCHEMBL14677313 0.69 PRMT6 (0.64) CLK4PRMT6
SCHEMBL2521580 0.68 CCR1 (0.48) TSHRKDM4E

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-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 — — 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-11912682-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 NOS2 1908/4885AAK1 4560/4885CYP1A2 146/4885

“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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