SCHEMBL586028

SCHEMBL586028

Oc1ncc2ccn(C3CCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.46
▸ CDK4 P11802 6/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ INSR P06213 1/20 0.44
▸ PDGFRB P09619 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
▸ AURKB Q96GD4 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TTK P33981 3/20 0.39
▸ DGAT1 O75907 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ABL2 P42684 1/20 0.34
▸ PIM2 Q9P1W9 2/20 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
SCHEMBL8513398 0.81 AURKA (0.46) AURKACDK4CDK1SRCINSR
SCHEMBL4202568 0.77 CDK4 (0.47) AURKACDK4CDK1SRCINSR
SCHEMBL8511314 0.77 TTK (0.45) AURKACDK4CDK1SRCINSR
SCHEMBL18627071 0.75 AURKA (0.32) AURKACDK4CDK1SRCINSR
SCHEMBL29779671 0.74 AURKA (0.46) AURKACDK4CDK1SRCINSR
SCHEMBL29287418 0.74 AURKA (0.46) AURKACDK4CDK1SRCINSR
SCHEMBL27033337 0.73 AURKA (0.41) AURKACDK4CDK1SRCINSR
SCHEMBL30480564 0.73 AURKA (0.41) AURKACDK4CDK1SRCINSR
SCHEMBL31074722 0.73 AURKA (0.38) AURKACDK4CDK1SRCINSR
SCHEMBL5356546 0.72 AURKA (0.43) AURKACDK4CDK1SRCINSR

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 9 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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
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
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 — — EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 — — 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 AURKA 2717/4885CDK4 411/4885CDK1 380/4885

“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