SCHEMBL15399063

SCHEMBL15399063

O=C(O)c1cnn2cccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
EPHB3 P54753 6/20 0.43
RIPK2 O43353 1/20 0.43
LCK P06239 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
KDM4E B2RXH2 5/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 3/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL15883629 0.83 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL416200 0.82 EPHB3 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL12493142 0.81 EPHB3 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL30152645 0.81 EPHB3 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL19119427 0.81 EPHB3 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1219456 0.81 EPHB3 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL22018175 0.79 CAMKK1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL27360891 0.78 JAK2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9920357 0.77 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL27150820 0.76 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221826-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-02 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 (1 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-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 NPC1 4853/4885RAB9A 2612/4885ALDH1A1 2161/4885

“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.