SCHEMBL11919161

SCHEMBL11919161

CCc1cnc(CN2CCNCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.38
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CXCR4 P61073 7/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ CXCL12 P48061 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL15219308 0.81 SOS1 (0.43) SOS1SIGMAR1KDM5CKDM4CLMNA
SCHEMBL11915977 0.78 CDK9 (0.45) SOS1SIGMAR1LMNAALDH1A1CXCR4
SCHEMBL13294390 0.77 SOS1 (0.43) SOS1SIGMAR1KDM5CKDM4CLMNA
SCHEMBL11552590 0.72 NOTUM (0.53) SOS1SIGMAR1LMNAALDH1A1KMT2A
SCHEMBL25085613 0.69 SIGMAR1 (0.49) SIGMAR1LMNACXCR4MEN1CHRM2
SCHEMBL11919047 0.69 SIGMAR1 (0.44) SIGMAR1LMNACXCR4MEN1CHRM2
SCHEMBL21414343 0.69 CXCR4 (0.49) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL11919141 0.68 KDM4E (0.37) ALDH1A1MEN1KMT2A
SCHEMBL27324412 0.68 SIGMAR1 (0.37) SOS1SIGMAR1KDM5CKDM4CLMNA
SCHEMBL6167565 0.67 CXCR4 (0.43) SOS1SIGMAR1KDM5CKDM4CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
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 (3 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 SOS1 2017/4885SIGMAR1 3112/4885KDM5C 3386/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 SOS1 1087/4885SIGMAR1 3576/4885KDM5C 2745/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 SOS1 2789/4885SIGMAR1 3181/4885KDM5C 1039/4885

“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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