Sugi Predict

Sugi Predict / Compounds / SCHEMBL3039673

SCHEMBL3039673

SCHEMBL3039673

O=C(NOCC1CC1)c1cc2ccncc2n1Cc1ccc(I)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 8/20 0.42
▸ RAF1 P04049 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ AURKC Q9UQB9 1/20 0.40
▸ CAMK2A Q9UQM7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ROCK2 O75116 3/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ECE1 P42892 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL3034236 0.86 CYP2C9 (0.48) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL12083467 0.84 MAP2K1 (0.34) MAP2K1MEN1KMT2ATDP1CYP2C9
SCHEMBL12083414 0.83 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL3024357 0.80 MAPT (0.48) KMT2AECE1MAPT
SCHEMBL3033844 0.80 CCR2 (0.40) ECE1MAPTNTRK1
SCHEMBL12085726 0.80 KCNH2 (0.40) MAP2K1CYP2C9KCNH2CYP2C19ECE1
SCHEMBL12083411 0.79 KCNH2 (0.38) MAP2K1MEN1KMT2ACYP2C9KCNH2
SCHEMBL3024131 0.78 ECE1 (0.34) MAP2K1MAP2K2ROCK2ECE1MAPT
SCHEMBL3023675 0.77 NOD2 (0.43) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL12083476 0.75 CYP2C9 (0.45) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19

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
EP-2164850-B1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH INC (US) 2016-01-13 — — EP disclosed
EP-2164850-B1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH INC (US) 2016-01-13 — — EP disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 — — US disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 — — US disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 — — US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 — — US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 — — US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 — — US disclosed
WO-2008157179-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. (US) 2008-12-24 — — 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-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A MAP2K1 24/4885RAF1 117/4885PDGFRB 1707/4885

“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.