SCHEMBL11919074

SCHEMBL11919074

CCn1cnnc1CN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ CXCR4 P61073 8/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ CXCL12 P48061 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33

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
SCHEMBL15219342 0.80 SIGMAR1 (0.41) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL11915931 0.77 SIGMAR1 (0.39) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL18740460 0.70 ALDH1A1 (0.35) SIGMAR1ALDH1A1
SCHEMBL11919076 0.68 SIGMAR1 (0.41) SIGMAR1KMT2AHRH3ALDH1A1
SCHEMBL23704582 0.67 — —
SCHEMBL7492912 0.65 EGLN1 (0.41) MEN1KMT2ATDP1ALDH1A1HIF1A
SCHEMBL9932677 0.65 ALDH1A1 (0.44) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL27326293 0.64 SIGMAR1 (0.34) SIGMAR1LMNACXCR4CHRM2MEN1
SCHEMBL209630 0.63 EGLN1 (0.44) SIGMAR1LMNACXCR4TDP1ALDH1A1
SCHEMBL1332129 0.63 — —

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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 SIGMAR1 3112/4885LMNA 3860/4885CXCR4 3091/4885

“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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