SCHEMBL13788949

SCHEMBL13788949

Nc1cnc(Nc2ccc(OCCCO)cc2)nc1Nc1ccc2c(c1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.50
▸ STK17B O94768 3/20 0.50
▸ SYK P43405 3/20 0.47
▸ BRD4 O60885 2/20 0.46
▸ EGFR P00533 3/20 0.46
▸ ITK Q08881 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL13789065 0.84 GSK3B (0.55) STK17ASTK17BSYKEGFR
SCHEMBL5405551 0.77 STK17A (0.55) STK17ASTK17BSYKEGFRCDK5
SCHEMBL4512217 0.74 GSK3A (0.54) —
SCHEMBL4496644 0.72 EGFR (0.50) STK17ASTK17BEGFR
SCHEMBL7241987 0.69 CDK4 (0.74) EGFRCDK5IGF1R
SCHEMBL13794369 0.69 AURKA (0.39) STK17ASTK17BEGFR
SCHEMBL10187807 0.69 STK17A (0.61) STK17ASTK17BSYKBRD4EGFR
SCHEMBL29024862 0.67 SYK (0.57) STK17ASYKBRD4EGFRITK
SCHEMBL20154831 0.67 STK17A (1.00) STK17ASTK17B
SCHEMBL12519659 0.66 EGFR (0.81) EGFRITK

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
US-7563781-B2 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-07-21 — — US disclosed
US-7563781-B2 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-07-21 — — US disclosed
US-20070015207-A1 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2007-01-18 — — US disclosed
US-20070015207-A1 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2007-01-18 — — 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-20070015207-A1 Triazolopyrimidine derivatives ABL1, FLT3, ROS1 STK17A 35/4885STK17B 10/4885SYK 232/4885

“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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