SCHEMBL17969403

SCHEMBL17969403

CCS(=O)(=O)Nc1cncc(-c2ccc3nc(-c4ncc[nH]4)oc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PTPN5 P54829 1/20 0.39
▸ TP53 P04637 3/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ GPR119 Q8TDV5 5/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PIP4K2A P48426 2/20 0.35
▸ PIP4K2B P78356 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ MET P08581 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL17969373 0.88 PIK3C3 (0.46) TP53PIK3CAGPR119PIP4K2APIP4K2B
SCHEMBL17969397 0.84 MAPT (0.52) PTPN5TP53PIK3CAMETLMNA
SCHEMBL17969417 0.83 CYP1A2 (0.42) ROCK2ROCK1PTPN5TP53PIK3CA
SCHEMBL17969438 0.83 PTPN5 (0.39) ROCK2ROCK1PTPN5TP53PIK3CA
SCHEMBL17969409 0.80 PTPN5 (0.39) ROCK2ROCK1PTPN5TP53PIK3CA
SCHEMBL17969402 0.80 SMN1; SMN2 (0.41) ROCK2ROCK1PTPN5PIK3CAEGFR
SCHEMBL17969361 0.77 CYP11B2 (0.38) ROCK2ROCK1PTPN5TP53PIK3CA
SCHEMBL18009973 0.77 CYP11B1 (0.45) TP53GPR119CYP11B2KDM4ENPC1
Trifluoroacetic Acid SCHEMBL17969433 0.77 MET (0.37) ROCK2ROCK1PTPN5TP53PIK3CA
Trifluoroacetic Acid SCHEMBL17969346 0.74 MET (0.38) PTPN5TP53PIK3CAGPR119EGFR

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-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US claimed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 — — US claimed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — US claimed
WO-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 — — WO claimed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 — — US claimed
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 — — 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 (4 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-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 ROCK2 543/4885ROCK1 345/4885PTPN5 38/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 ROCK2 543/4885ROCK1 345/4885PTPN5 38/4885
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 ROCK2 543/4885ROCK1 345/4885PTPN5 38/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 ROCK2 543/4885ROCK1 345/4885PTPN5 38/4885

“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.

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