Sugi Predict

Sugi Predict / Compounds / SCHEMBL2478427

SCHEMBL2478427

SCHEMBL2478427

COC(c1ccccc1)c1nc(Nc2ccc(-n3ccnc3C)cc2)nc2c1CSCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDR P35968 2/20 0.33
▸ TUBB4A P04350 2/20 0.33
▸ TUBB P07437 2/20 0.33
▸ TUBA3C P0DPH7 2/20 0.33
▸ TUBA1B P68363 2/20 0.33
▸ TUBA4A P68366 2/20 0.33
▸ TUBB4B P68371 2/20 0.33
▸ TUBB3 Q13509 2/20 0.33
▸ TUBB2A Q13885 2/20 0.33
▸ TUBB8 Q3ZCM7 2/20 0.33
▸ TUBA3E Q6PEY2 2/20 0.33
▸ TUBA1A Q71U36 2/20 0.33
▸ TUBA1C Q9BQE3 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
SCHEMBL2482294 0.92 EGFR (0.32) EGFRCYP3A4CYP2D6PORCNCYP2C9
SCHEMBL2479289 0.85 CYP3A4 (0.34) CYP3A4CYP2D6PORCNKDRTUBB4A
SCHEMBL2486402 0.84 CYP3A4 (0.35) CYP3A4CYP2D6PORCNKDRTUBB4A
SCHEMBL2480381 0.79 CYP3A4 (0.36) EGFRCYP3A4CYP2D6PORCNCYP2C9
SCHEMBL2452081 0.73 ROCK2 (0.38) EGFRCYP3A4CYP2D6PORCNKDR
SCHEMBL2485293 0.73 HTR2C (0.37) CYP3A4CYP2D6PORCNKDRCYP26A1
SCHEMBL2485548 0.73 EGFR (0.38) EGFRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2445284 0.72 JAK2 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL2482194 0.71 — —
SCHEMBL2476632 0.71 CYP3A4 (0.37) CYP3A4CYP2D6PORCNCYP2C9CYP2C19

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-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 — — US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 — — US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 — — US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 — — EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 — — US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 — — US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 — — US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 — — WO disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 — — 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 EGFR 2791/4885CYP3A4 4727/4885CYP2D6 4725/4885

“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.