SCHEMBL18044591

SCHEMBL18044591

Cn1cc(-c2ccc(NC(=O)c3cc4c(n(-c5ccccc5)c3=O)CCC4=O)nc2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ AXL P30530 10/20 0.46
▸ MERTK Q12866 2/20 0.46
▸ MET P08581 9/20 0.45
▸ TYRO3 Q06418 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ EIF2AK3 Q9NZJ5 2/20 0.42
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL18044730 0.95 ALDH1A1 (0.61) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL16709489 0.95 ALDH1A1 (0.63) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044540 0.91 ALDH1A1 (0.52) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044641 0.91 AXL (0.55) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044594 0.90 ALDH1A1 (0.48) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044698 0.90 USP2 (0.48) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044534 0.89 USP2 (0.49) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044577 0.89 ALDH1A1 (0.48) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044596 0.88 AXL (0.55) ALDH1A1USP2HSD17B10KDM4EMEN1
SCHEMBL18044579 0.87 HSD17B10 (0.67) ALDH1A1USP2HSD17B10KDM4EMEN1

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 3360/4885USP2 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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