SCHEMBL18595657

SCHEMBL18595657

CS(C)(C)CCOCn1c(-c2nc3ccc(Br)cc3o2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HSD17B10 Q99714 5/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 8/20 0.37
TP53 P04637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGER4 P35408 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 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
SCHEMBL17969372 0.89 MAPT (0.46) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595749 0.83 KDM4E (0.34) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595736 0.83 KDM4E (0.36) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595666 0.83 KDM4E (0.35) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595753 0.82 KDM4E (0.35) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595679 0.81 FGFR1 (0.36) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595735 0.79 PIK3CD (0.37) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595658 0.79 KDM4E (0.34) MAPTHSD17B10TSHRLMNAKDM4E
SCHEMBL18595667 0.78 TLR9 (0.34) MAPTHSD17B10TSHRKDM4ETP53
SCHEMBL17982000 0.72 HSD17B10 (0.47) MAPTHSD17B10TSHRLMNAKDM4E

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 MAPT 4548/4885HSD17B10 2966/4885TSHR 886/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 MAPT 4548/4885HSD17B10 2966/4885TSHR 886/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 MAPT 4548/4885HSD17B10 2966/4885TSHR 886/4885

“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.