Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013014

SCHEMBL2013014

SCHEMBL2013014

Cc1cc(C(C)N)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.45
▸ CCR1 P32246 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ BCL2 P10415 1/20 0.36
▸ PDE4A P27815 2/20 0.35
▸ PSMD14 O00487 2/20 0.35
▸ COPS5 Q92905 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TNKS2 Q9H2K2 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
SCHEMBL2014786 0.89 PIK3CD (0.46) PIK3CDCDC7ROCK2MAP4K4PIM1
SCHEMBL2017230 0.87 PIK3CD (0.58) PIK3CDCCR1CCR8CDC7ROCK2
SCHEMBL2017433 0.85 PIK3CD (0.43) PIK3CDCDC7ROCK2MAP4K4PIM1
SCHEMBL2013331 0.84 PIK3CD (0.44) PIK3CDCDC7ROCK2MAP4K4PIM1
SCHEMBL2011258 0.80 PIK3CD (0.56) PIK3CDCCR1CCR8PDE4APSMD14
SCHEMBL2014146 0.77 PIK3CD (0.64) PIK3CDMAP4K4BCL2
SCHEMBL2013016 0.77 TAAR1 (0.41) PIK3CDCCR1CCR8CDC7ROCK2
SCHEMBL12632908 0.77 PIK3CD (0.44) PIK3CDCDC7ROCK2MAP4K4PIM1
SCHEMBL2012706 0.76 TOP2A (0.42) CCR1CCR8CDC7ROCK2MAP4K4
SCHEMBL2012708 0.74 CCR1 (0.39) PIK3CDCCR1CCR8CDC7ROCK2

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885CCR1 601/4885CCR8 1177/4885

“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.