SCHEMBL19741695

SCHEMBL19741695

CN(C)Cc1cn2c(n1)CNCCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MGLL Q99685 1/20 0.32
CXCR4 P61073 3/20 0.32

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
SCHEMBL7011116 0.91 PDCD1 (0.42) PDCD1CD274MGLL
SCHEMBL20082396 0.76 PDCD1 (0.42) PDCD1CD274MGLLCXCR4
Hydrochloric Acid SCHEMBL15006961 0.74 PDCD1 (0.41) PDCD1CD274CXCR4
SCHEMBL112848 0.74 PDCD1 (0.44) PDCD1CD274MGLLCXCR4
SCHEMBL15882090 0.72 PDCD1 (0.45) PDCD1CD274MGLLCXCR4
Hydrochloric Acid SCHEMBL29721354 0.71 PDCD1 (0.44) PDCD1CD274MGLLCXCR4
SCHEMBL2752951 0.70 CXCR4 (0.42) PDCD1CD274MGLLCXCR4
SCHEMBL3840066 0.69 P2RX7 (0.38) PDCD1CD274MGLL
SCHEMBL31217456 0.69 PDCD1 (0.34) PDCD1CD274CXCR4
Hydrochloric Acid SCHEMBL2339479 0.69 CXCR4 (0.41) PDCD1CD274CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A PDCD1 1483/4885CD274 2708/4885MGLL 4185/4885

“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.