SCHEMBL5591783

SCHEMBL5591783

Nc1ncc(CC2CCCO2)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL30515644 1.00 DHFR (0.45) DHFRMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28066916 0.87 PDE8B (0.39) DHFRMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28066962 0.79 PDE8B (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18109476 0.76 TNK2 (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1368683 0.76 MCL1 (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1775677 0.75
SCHEMBL2634024 0.75 DHFR (0.42) DHFR
SCHEMBL1318801 0.74 CDK2 (0.43)
SCHEMBL30018228 0.73 TNK2 (0.42) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2513471 0.72 TNK2 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 CN claimed
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO claimed
US-12630535-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2026-05-19 US disclosed
US-20230295129-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH 2023-09-21 US disclosed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 CN 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 (2 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-20230295129-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNK2, TNNI3K DHFR 4034/4885MEN1 2787/4885CYP1A2 4823/4885
US-12630535-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 DHFR 4795/4885MEN1 3260/4885CYP1A2 4541/4885

“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.