SCHEMBL3314032

SCHEMBL3314032

O=c1[nH]ccc2c3sc(NCCCN4CCOCC4)nc3c3ccc(F)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
RAD52 P43351 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT3 P36888 2/20 0.40
CHEK1 O14757 2/20 0.40
PARP1 P09874 1/20 0.40
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.38

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
SCHEMBL2358884 0.95 IDO1 (0.45) RAB9AKDM4EHSD17B10ALDH1A1CHEK1
SCHEMBL2358447 0.82 CHEK1 (0.46) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL3307489 0.82 PIM1 (0.50) KDM4EHSD17B10ALDH1A1FLT3CHEK1
SCHEMBL2358156 0.81 QPCT (0.44) RAB9AKDM4EHSD17B10CHEK1NPC1
SCHEMBL2358594 0.80 CHEK1 (0.47) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL2358050 0.80 JAK2 (0.47) CHEK1IKBKBMAPK13DAPK3JAK2
SCHEMBL2358874 0.80 JAK2 (0.44) KDM4EHSD17B10CHEK1IKBKBMAPK13
SCHEMBL3302107 0.80 JAK2 (0.44) RAD52FLT3CHEK1IKBKBMAPK13
SCHEMBL15389023 0.80 RAB9A (0.42) RAB9ARAD52CRHBPCRHR2KDM4E
SCHEMBL2356258 0.80 CHEK1 (0.47) RAB9ACHEK1NPC1SMN1; SMN2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US claimed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 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 (6 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 RAB9A 1644/4885RAD52 4274/4885CRHBP 3142/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 RAB9A 2893/4885RAD52 2585/4885CRHBP 3248/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 RAB9A 1617/4885RAD52 3231/4885CRHBP 3531/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 RAB9A 1617/4885RAD52 3231/4885CRHBP 3531/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 RAB9A 1617/4885RAD52 3231/4885CRHBP 3531/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 RAB9A 2893/4885RAD52 2585/4885CRHBP 3248/4885

“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.