SCHEMBL1350684

SCHEMBL1350684

COc1ccc(CNC2CCCC2(C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.43
SSTR3 P32745 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
EPHX2 P34913 1/20 0.41
NPY1R P25929 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL1350682 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1350680 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL19857422 0.82 OPRM1 (0.44) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL19857407 0.82 OPRM1 (0.44) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL23126457 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16914380 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL19332205 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18095588 0.74 NPY1R (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29872380 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16914327 0.74 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 SMN1; SMN2 4809/4885NPC1 4824/4885RAB9A 2389/4885

“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.