SCHEMBL17969402

SCHEMBL17969402

CCS(=O)(=O)Nc1cncc(-c2ccc3nc(C)oc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP11B2 P19099 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MET P08581 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CB P42338 2/20 0.37

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
SCHEMBL17969361 0.85 CYP11B2 (0.38) CYP11B2ROCK2ROCK1ALDH1A1THRB
SCHEMBL17969438 0.82 PTPN5 (0.39) SMN1; SMN2CYP11B2ROCK2ROCK1ALDH1A1
SCHEMBL17969403 0.80 ROCK2 (0.40) SMN1; SMN2CYP11B2ROCK2ROCK1ALDH1A1
SCHEMBL17969409 0.79 PTPN5 (0.39) SMN1; SMN2CYP11B2ROCK2ROCK1ALDH1A1
SCHEMBL17969417 0.78 CYP1A2 (0.42) SMN1; SMN2CYP11B2POLBROCK2ROCK1
SCHEMBL17969355 0.77 PIK3CG (0.54) POLBPIK3CAPIK3CBGAAL3MBTL1
Trifluoroacetic Acid SCHEMBL17969433 0.76 MET (0.37) SMN1; SMN2ROCK2ROCK1ALDH1A1PTPN5
SCHEMBL782548 0.75 CYP11B2 (0.48) SMN1; SMN2CYP11B2LMNA
SCHEMBL17969327 0.73 SMN1; SMN2 (0.44) SMN1; SMN2CYP11B2POLBALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL17969346 0.73 MET (0.38) SMN1; SMN2ALDH1A1HPGDPTPN5PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
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-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — 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
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 — — US disclosed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 — — US disclosed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — US disclosed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — US disclosed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — US disclosed
WO-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 — — WO disclosed
WO-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 — — WO disclosed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 — — US disclosed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 — — US disclosed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 — — 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 SMN1; SMN2 3752/4885CYP11B2 3428/4885POLB 1686/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 SMN1; SMN2 3752/4885CYP11B2 3428/4885POLB 1686/4885
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 SMN1; SMN2 3752/4885CYP11B2 3428/4885POLB 1686/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 SMN1; SMN2 3752/4885CYP11B2 3428/4885POLB 1686/4885

“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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