SCHEMBL11918957

SCHEMBL11918957

CCc1nc(CN2CCNCC2)no1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SOS1 Q07889 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ APOBEC3G Q9HC16 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
SCHEMBL15219278 0.80 CXCR4 (0.40) CXCR4PTPN1SOS1ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL17092836 0.79 LMNA (0.41) CXCR4PTPN1ALDH1A1SIGMAR1LMNA
SCHEMBL11915980 0.76 CXCR4 (0.37) CXCR4PTPN1SOS1ALDH1A1SIGMAR1
SCHEMBL25942185 0.74 GAA (0.38) MAPTSOS1ALDH1A1LMNAGAA
SCHEMBL27326165 0.74 GAA (0.61) ALDH1A1LMNAGAA
SCHEMBL16303842 0.73 SMN1; SMN2 (0.42) CXCR4MAPTSOS1ALDH1A1SIGMAR1
SCHEMBL27326291 0.73 CXCR4 (0.37) CXCR4PTPN1SOS1ALDH1A1SIGMAR1
SCHEMBL12705 0.70 — —
SCHEMBL12963698 0.70 NPC1 (0.52) ALDH1A1LMNAGAACYP1A2
SCHEMBL16509710 0.70 SMN1; SMN2 (0.45) CXCR4PTPN1MAPTALDH1A1

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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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 (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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 CXCR4 3091/4885PTPN1 563/4885MAPT 3911/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CXCR4 3186/4885PTPN1 616/4885MAPT 2203/4885

“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.

Send feedback