SCHEMBL18045168

SCHEMBL18045168

CC(C)(O)Cn1cc(-c2ccc(NC(=O)c3cc4c(n(-c5ccccc5)c3=O)CCCCC4=O)nc2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ MERTK Q12866 5/20 0.47
▸ AXL P30530 4/20 0.47
▸ TYRO3 Q06418 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NEK7 Q8TDX7 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ RET P07949 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL18044581 0.99 ALDH1A1 (0.57) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044532 0.92 AXL (0.53) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044634 0.92 AXL (0.52) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044752 0.91 USP2 (0.45) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL16709400 0.91 MERTK (0.53) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18045197 0.90 ALDH1A1 (0.44) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044637 0.90 ALDH1A1 (0.44) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044531 0.90 USP2 (0.44) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044730 0.88 ALDH1A1 (0.61) ALDH1A1USP2HSD17B10PKMMAPT
SCHEMBL18044526 0.88 TYRO3 (0.48) ALDH1A1USP2HSD17B10PKMMAPT

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-9586967-B2 Pyrrolo pyrimidine derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 — — US disclosed
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-15 — — 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-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE AXL, FLT3, TYRO3 ALDH1A1 3360/4885USP2 3733/4885HSD17B10 4559/4885

“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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