Sugi Predict

Sugi Predict / Compounds / SCHEMBL18595753

SCHEMBL18595753

SCHEMBL18595753

CS(C)(C)CCOCn1c(-c2nc3ccc(-c4cncc(O)c4)cc3o2)nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.35
▸ HSD17B10 Q99714 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ TP53 P04637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ GAA P10253 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
SCHEMBL18595736 0.91 KDM4E (0.36) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL17969399 0.91 KDM4E (0.36) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595658 0.87 KDM4E (0.34) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595735 0.87 PIK3CD (0.37) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595679 0.82 FGFR1 (0.36) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595666 0.82 KDM4E (0.35) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595657 0.82 MAPT (0.43) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL17969407 0.81 KDM4E (0.38) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL17982000 0.78 HSD17B10 (0.47) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL18595749 0.78 KDM4E (0.34) KDM4EHSD17B10ALDH1A1NPC1RAB9A

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 4 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-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-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — 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 (3 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 KDM4E 597/4885HSD17B10 2966/4885ALDH1A1 3781/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 KDM4E 597/4885HSD17B10 2966/4885ALDH1A1 3781/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 KDM4E 597/4885HSD17B10 2966/4885ALDH1A1 3781/4885

“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.