SCHEMBL8511314

SCHEMBL8511314

COc1ncc2ccn(C3CCC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.45
▸ AURKA O14965 7/20 0.44
▸ CDK4 P11802 5/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ INSR P06213 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ CYP1A2 P05177 10/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP3A4 P08684 5/20 0.42
▸ USP2 O75604 2/20 0.42

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
SCHEMBL8513398 0.80 AURKA (0.46) TTKAURKACDK4CDK1INSR
SCHEMBL586028 0.77 AURKA (0.46) TTKAURKACDK4CDK1INSR
SCHEMBL586596 0.77 AURKA (0.40) TTKAURKACDK4CDK1INSR
SCHEMBL8513406 0.76 MTNR1A (0.40) TTKAURKACDK4CDK1INSR
SCHEMBL4202568 0.74 CDK4 (0.47) TTKAURKACDK4CDK1INSR
SCHEMBL29287418 0.73 AURKA (0.46) TTKAURKACDK4CDK1INSR
SCHEMBL29779671 0.73 AURKA (0.46) TTKAURKACDK4CDK1INSR
SCHEMBL29287417 0.71 TTK (0.46) TTKAURKACDK4CDK1INSR
SCHEMBL30480564 0.70 AURKA (0.41) TTKAURKACDK4CDK1INSR
SCHEMBL27033337 0.70 AURKA (0.41) TTKAURKACDK4CDK1INSR

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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 TTK 3989/4885AURKA 2717/4885CDK4 411/4885

“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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