SCHEMBL18044637

SCHEMBL18044637

CC(C)(O)Cn1cc(-c2ccc(NC(=O)c3cc4c(n(-c5ccccc5)c3=O)CC3(CC3)CC4=O)nc2)c2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ USP2 O75604 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ NEK7 Q8TDX7 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ RET P07949 2/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ GLA P06280 1/20 0.36

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
SCHEMBL18045197 0.97 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044551 0.93 FLT3 (0.43) ALDH1A1MAPTNEK7GAAFLT3
SCHEMBL18045190 0.90 FLT3 (0.42) ALDH1A1MAPTNEK7GAAFLT3
SCHEMBL18044581 0.90 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18045168 0.90 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044594 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044752 0.88 USP2 (0.45) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044577 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044531 0.86 USP2 (0.44) ALDH1A1HSD17B10KDM4EMAPTUSP2
SCHEMBL18044532 0.83 AXL (0.53) ALDH1A1HSD17B10KDM4EMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 — — EP disclosed
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
EP-3067356-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-09-14 — — EP 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 3360/4885HSD17B10 4559/4885KDM4E 1727/4885

“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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