SCHEMBL16769593

SCHEMBL16769593

COc1cc(N2CCNCC2)ccc1Nc1ncc(C)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.84

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
SCHEMBL16769579 1.00 ALK (0.84) ALK
SCHEMBL16769541 0.95 ALK (0.82) ALK
SCHEMBL16752902 0.91 ALK (1.00) ALK
SCHEMBL16769581 0.91 ALK (0.82) ALK
SCHEMBL16769587 0.91 ALK (0.82) ALK
SCHEMBL16769588 0.91 ALK (0.81) ALK
SCHEMBL16752938 0.90 ALK (1.00) ALK
SCHEMBL16769586 0.90 ALK (0.85) ALK
SCHEMBL16769580 0.90 ALK (0.85) ALK
SCHEMBL16769582 0.89 ALK (0.84) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199944-B2 N2,N4-bis(4-(piperazine-1-yl)phenyl)pirimidine-2,4-diamine derivative or pharmaceutically acceptable salt thereof, and composition containing same as active ingredient for preventing or treating cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-12-01 US disclosed
US-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER PINOTBIO, INC. (KR) 2015-06-04 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-20150152069-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER TNK2, NPM1, NEK4 ALK 19/4885

“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.