SCHEMBL586496

SCHEMBL586496

Cc1cc2c(ccn2C2CCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ MAP3K5 Q99683 1/20 0.41
▸ CYP11B2 P19099 1/20 0.38
▸ SCD O00767 5/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ TTK P33981 1/20 0.36
▸ AURKA O14965 4/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ INSR P06213 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36

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
SCHEMBL19015378 0.78 KDR (0.47) KDRAURKBJAK2EGFRCDK2
SCHEMBL31324661 0.78 KDR (0.44) KDRAURKBJAK2EGFRCDK2
SCHEMBL15741964 0.78 CDK2 (0.44) KDRAURKBJAK2EGFRCDK2
SCHEMBL1149572 0.77 KDR (0.48) KDRAURKBJAK2EGFRCDK2
SCHEMBL2298016 0.74 CDK2 (0.44) KDRAURKBJAK2EGFRCDK2
SCHEMBL8513398 0.73 AURKA (0.46) KDRAURKBJAK2EGFRCDK2
SCHEMBL19267571 0.73 CYP1A2 (0.44) CYP1A2CYP2A6
SCHEMBL10322016 0.72 SCD (0.37) KDRAURKBJAK2EGFRCDK2
SCHEMBL9880036 0.72 DGAT1 (0.39) KDRAURKBJAK2EGFRCDK2
SCHEMBL7926055 0.71 PIK3CB (0.50) CYP1A2CYP2A6

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 KDR 3590/4885AURKB 1484/4885JAK2 2092/4885

“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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