SCHEMBL18044540

SCHEMBL18044540

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ GAA P10253 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.49
▸ USP2 O75604 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ GLA P06280 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TYRO3 Q06418 1/20 0.45
▸ HIF1A Q16665 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ MET P08581 1/20 0.43

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
SCHEMBL18044594 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL18044577 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL18044591 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMAPTHSD17B10
SCHEMBL16709489 0.90 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AMAPTHSD17B10
SCHEMBL18044730 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMAPTHSD17B10
SCHEMBL18044698 0.85 USP2 (0.48) ALDH1A1KDM4EKMT2AMAPTHSD17B10
SCHEMBL18044534 0.85 USP2 (0.49) ALDH1A1KDM4EKMT2AMAPTHSD17B10
SCHEMBL18044728 0.85 MET (0.52) ALDH1A1GAAPOLBTYRO3MET
SCHEMBL18044702 0.83 MET (0.51) ALDH1A1GAAPOLBTYRO3MET
SCHEMBL18044596 0.83 AXL (0.55) ALDH1A1KDM4EKMT2AMAPTHSD17B10

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 3360/4885KDM4E 1727/4885GAA 1671/4885

“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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