SCHEMBL18595667

SCHEMBL18595667

CS(C)(C)CCOCn1ccnc1-c1nc2ccc(Br)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.34
TP53 P04637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TLR7 Q9NYK1 6/20 0.32
MAPT P10636 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CETP P11597 1/20 0.31
CEPT1 Q9Y6K0 1/20 0.31
HCRTR1 O43613 1/20 0.30

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
SCHEMBL17969315 0.89 DGAT1 (0.39) TLR9TP53NPC1RAB9AHSD17B10
SCHEMBL18595662 0.82 TLR9 (0.36) TLR9TP53NPC1RAB9AHSD17B10
SCHEMBL18595657 0.78 MAPT (0.43) TP53NPC1RAB9AHSD17B10KDM4E
SCHEMBL17969305 0.71 TLR9 (0.38) TLR9TP53NPC1RAB9AHSD17B10
SCHEMBL25510725 0.69 BRD4 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL25108514 0.69 KCNH2 (0.31)
SCHEMBL24527136 0.68 KMT2A (0.42) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL24493506 0.67 HTR2C (0.49)
SCHEMBL1441203 0.67 DGAT1 (0.46) NPC1RAB9AKDM4EESR1MAPK1
SCHEMBL17969372 0.66 MAPT (0.46) TP53NPC1RAB9AHSD17B10KDM4E

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 TLR9 2377/4885TP53 967/4885NPC1 3780/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 TLR9 2377/4885TP53 967/4885NPC1 3780/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 TLR9 2377/4885TP53 967/4885NPC1 3780/4885

“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.