SCHEMBL20570515

SCHEMBL20570515

Cn1cnc2ccc(C(=O)Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DYRK1A Q13627 1/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
FGFR1 P11362 1/20 0.44
HSD11B1 P28845 2/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NOTUM Q6P988 2/20 0.41
NAMPT P43490 1/20 0.41
MLLT1 Q03111 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL14061238 0.87 NPC1 (0.57) NPC1RAB9ATP53SMN1; SMN2DYRK1A
Hydrochloric Acid SCHEMBL6112989 0.85 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2DYRK1A
SCHEMBL29819602 0.85 ALDH1A1 (0.53) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1869730 0.85 FGFR1 (0.60) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16602284 0.85 ALDH1A1 (0.53) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL11171 0.83 SMN1; SMN2 (0.50) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3492748 0.81 FGFR1 (0.53) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL29555125 0.81 FGFR1 (0.53) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL12094844 0.81 SMN1; SMN2 (0.48) CHRNA7NPC1RAB9ATP53SMN1; SMN2
SCHEMBL10110841 0.81 CHRNA7 (0.46) CHRNA7NPC1RAB9ATP53SMN1; SMN2

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-10246439-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-10246439-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-20180362502-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218044-A2 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS INC (US) 2018-11-29 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-10246439-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CHRNA7 4382/4885NPC1 472/4885RAB9A 3490/4885
US-20180362502-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 CHRNA7 4382/4885NPC1 472/4885RAB9A 3490/4885

“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.