SCHEMBL3528068

SCHEMBL3528068

Cc1c(N)nn2cc([C@H]3CC[C@H](N)CC3)nc2c1Nc1ccc(CN)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
FPR1 P21462 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3025260 1.00 NPC1 (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3015022 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3023068 0.88 SRC (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3531352 0.88 SRC (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3017833 0.88 SRC (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3019404 0.87 SRC (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3559435 0.85 MAPKAPK2 (0.44) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3021476 0.85 MAPKAPK2 (0.44) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3007600 0.85 MAPT (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3530250 0.84 MAPKAPK2 (0.37) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 NPC1 883/4885RAB9A 1910/4885SMN1; SMN2 3575/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 NPC1 883/4885RAB9A 1910/4885SMN1; SMN2 3575/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 NPC1 4202/4885RAB9A 1376/4885SMN1; SMN2 4020/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 NPC1 883/4885RAB9A 1910/4885SMN1; SMN2 3575/4885

“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.