Sugi Predict

Sugi Predict / Compounds / SCHEMBL9987465

SCHEMBL9987465

SCHEMBL9987465

CC(N)c1c(Cl)c2cccnc2n1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ PDE4B Q07343 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ MAPT P10636 5/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ VCP P55072 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL9987632 0.89 KMT2A (0.48) KMT2APDE4BPDE4DMAPTKEAP1
SCHEMBL9999343 0.82 KMT2A (0.42) KMT2APDE4BPDE4DMAPTCYP1A2
SCHEMBL9986419 0.80 METAP2 (0.35) KMT2AMEN1ALDH1A1PIK3CDVCP
SCHEMBL9987301 0.78 KMT2A (0.40) KMT2APDE4BPDE4DMAPTCYP1A2
SCHEMBL9987784 0.77 PIK3CD (0.44) PIK3CD
SCHEMBL12035285 0.77 KMT2A (0.39) KMT2APDE4BPDE4DCYP1A2PDE4A
SCHEMBL9986022 0.74 KMT2A (0.42) KMT2APDE4BPDE4DMAPTKEAP1
SCHEMBL9987594 0.73 KMT2A (0.45) KMT2APDE4BPDE4DMAPTCYP1A2
Trifluoroacetic Acid SCHEMBL9999316 0.72 PIK3CD (0.43) PIK3CD
SCHEMBL9999106 0.69 PIK3CD (0.47) KMT2APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
US-9062055-B2 Fused pyrrole derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2015-06-23 — — US disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 — — WO disclosed
WO-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 — — WO disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — US disclosed
US-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-12-22 — — US 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-20110312979-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R4, PIK3CA KMT2A 1776/4885PDE4B 2790/4885PDE4D 2869/4885

“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.