Sugi Predict

Sugi Predict / Compounds / SCHEMBL2675367

SCHEMBL2675367

SCHEMBL2675367

Cc1ccnc2[nH]nc(C(F)(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ CSF1R P07333 1/20 0.32

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
SCHEMBL2675127 0.79 GRM4 (0.31) GRM4CYP1A2CYP2C19
SCHEMBL2693973 0.79 LRRK2 (0.38) GRM4CYP1A2CYP2C19AURKADAPK3
SCHEMBL15890593 0.76 LRRK2 (0.36) CYP1A2CYP2C19SMN1; SMN2DYRK1AAURKA
SCHEMBL16680727 0.73 NOS2 (0.45) AURKAMAP4K4KDRGSK3BLIMK1
SCHEMBL17837494 0.73 LRRK2 (0.34) DYRK1AAURKADAPK3JAK2MAP4K4
SCHEMBL21620889 0.73 LRRK2 (0.34) DYRK1AAURKADAPK3JAK2MAP4K4
SCHEMBL25257495 0.72 NR1H2 (0.38) FYNKDRCDK9TBK1
SCHEMBL18074314 0.71 LIMK1 (0.34) RETKDRLIMK1
SCHEMBL28257885 0.71 NOS2 (0.46) LMNAHTTTSHRKDM4EMAPT
SCHEMBL25667837 0.70 MAPK1 (0.47) GRM4LMNAHTTTSHRCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367697-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
EP-2215089-B1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMA (US) 2012-06-27 — — EP disclosed
US-20120149680-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 — — US disclosed
US-8173635-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-08 — — US disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 — — EP disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 — — 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 (2 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GRM4 3721/4885LMNA 2030/4885HTT 983/4885
US-20120149680-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GRM4 3721/4885LMNA 2030/4885HTT 983/4885

“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.