Sugi Predict

Sugi Predict / Compounds / SCHEMBL16838679

SCHEMBL16838679

SCHEMBL16838679

CCc1cnc2nc(C)nn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ GRK5 P34947 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1A1 P48729 1/20 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
SCHEMBL3985163 0.78 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21240966 0.76 ALDH1A1 (0.39) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL31600703 0.73 MAP4K4 (0.41) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL23817333 0.73 POLB (0.39) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL18247884 0.73 SMN1; SMN2 (0.47) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL13510414 0.72 PDE10A (0.38) NPC1RAB9AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL31600553 0.72 MAP4K4 (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL19736813 0.70 NPC1 (0.34) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL16808003 0.70 RAB9A (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL19678268 0.70 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1KDM4E

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-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 — — US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 — — US disclosed
US-20160303129-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-10-20 — — US disclosed
US-9303034-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-04-05 — — US disclosed
US-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-06-25 — — 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 (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-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT NPC1 111/4885RAB9A 1160/4885MAPT 3/4885
US-20160303129-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT NPC1 111/4885RAB9A 1160/4885MAPT 3/4885
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT NPC1 111/4885RAB9A 1160/4885MAPT 3/4885

“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.