SCHEMBL1392226

SCHEMBL1392226

CCOc1nc(Nc2ccc(F)c(N3CCOCC3)c2)nc(NC2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3R1 P27986 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CDK2 P24941 9/20 0.41
▸ CCNE1 P24864 8/20 0.41
▸ CDK1 P06493 5/20 0.41
▸ CCNB1 P14635 4/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CCNE2 O96020 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CCNB2 O95067 1/20 0.40

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
SCHEMBL1392174 0.90 AXL (0.43) MEN1KMT2AMAPTPIK3CACYP3A4
SCHEMBL1391898 0.87 CDK2 (0.43) CDK2CCNE1CDK1CCNB1IKBKB
SCHEMBL1391974 0.86 CDK2 (0.42) CDK2CCNE1CDK1CCNB1IKBKB
SCHEMBL1391043 0.85 EGFR (0.47) MEN1KMT2AMAPTCDK2CCNE1
SCHEMBL1391784 0.83 CCNE1 (0.46) CDK2CCNE1CDK1CCNB1IKBKB
SCHEMBL1391933 0.81 CCNE1 (0.44) MAPTCDK2CCNE1IKBKBUSP2
SCHEMBL1391093 0.79 CDK2 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBCDK2
SCHEMBL1392103 0.78 EGFR (0.46) CDK2CCNE1CDK1CCNB1IKBKB
SCHEMBL1391392 0.78 LRRK2 (0.44) CDK2CCNE1CDK1CCNB1IKBKB
SCHEMBL1391256 0.77 CCNE1 (0.43) CDK2CCNE1CCNE2CCND1CDK4

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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS MEN1 4840/4885KMT2A 4066/4885MAPT 3654/4885

“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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