SCHEMBL18171850

SCHEMBL18171850

CCOC(=O)c1cnc(Nc2ccc(C)nc2)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SIRT5 Q9NXA8 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 1/20 0.46
SYK P43405 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
FLT4 P35916 1/20 0.44
LMNA P02545 2/20 0.43
PDPK1 O15530 1/20 0.43
AURKA O14965 1/20 0.42
XBP1 P17861 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL13525059 0.82 SIRT5 (0.56) MAPTNPC1ALDH1A1KDM4ESIRT5
Hydrochloric Acid SCHEMBL3169871 0.81 SIRT5 (0.55) MAPTNPC1ALDH1A1KDM4ESIRT5
SCHEMBL14862178 0.81 MAPT (0.61) MAPTNPC1ALDH1A1KDM4ESIRT5
SCHEMBL18181563 0.81 MAPT (0.51) MAPTNPC1ALDH1A1RAB9AMEN1
SCHEMBL3630022 0.80 RAB9A (0.56) MAPTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL11363820 0.79 ALDH1A1 (0.54) MAPTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL22834975 0.77 ALDH1A1 (0.52) MAPTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL4347729 0.76 NPC1 (0.48) MAPTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL4347726 0.76 NPC1 (0.51) MAPTNPC1ALDH1A1KDM4ERAB9A
SCHEMBL656065 0.74 ALDH1A1 (0.49) MAPTNPC1ALDH1A1KDM4ERAB9A

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-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 US disclosed
WO-2016168992-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2016-10-27 WO disclosed
WO-2016168992-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2016-10-27 WO 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 (2 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885NPC1 3099/4885ALDH1A1 4573/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885NPC1 3099/4885ALDH1A1 4573/4885

“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.