SCHEMBL17410930

SCHEMBL17410930

COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2P(C)(C)=O)c2cc[nH]c2n1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.78
▸ ALK Q9UM73 13/20 0.72
▸ EGFR P00533 1/20 0.72
▸ MAP4K1 Q92918 1/20 0.67
▸ IGF1R P08069 4/20 0.61
▸ INSR P06213 3/20 0.61

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
SCHEMBL11919325 0.93 PTK2 (0.84) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL16998990 0.91 PTK2 (0.80) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11919345 0.89 PTK2 (0.77) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11919218 0.89 PTK2 (0.81) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11919322 0.88 PTK2 (0.83) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11918997 0.86 IGF1R (0.82) PTK2ALKIGF1RINSR
SCHEMBL15222130 0.86 PTK2 (0.79) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11919333 0.86 PTK2 (0.79) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL11916525 0.85 PTK2 (0.72) PTK2ALKEGFRMAP4K1IGF1R
SCHEMBL18831893 0.85 IGF1R (0.61) PTK2ALKEGFRMAP4K1IGF1R

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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
WO-2016000581-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE 南京明德新药研发股份有限公司 2016-01-07 — — WO 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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA PTK2 452/4885ALK 1/4885EGFR 209/4885

“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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