SCHEMBL12133605

SCHEMBL12133605

COC1(c2ncc(C)s2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL2039384 0.81 FPR2 (0.32)
SCHEMBL3635531 0.77
SCHEMBL26777143 0.76 NOS1 (0.39) NOS1SMN1; SMN2NPC1GAARAB9A
SCHEMBL26766002 0.74 NOS1 (0.38) NOS1SMN1; SMN2NPC1GAARAB9A
SCHEMBL26777147 0.74 NOS1 (0.38) NOS1SMN1; SMN2NPC1GAARAB9A
SCHEMBL16790691 0.70 NOS1 (0.38) NOS1SMN1; SMN2LMNAPKM
SCHEMBL19597507 0.70 NOS1 (0.38) NOS1SMN1; SMN2LMNAPKM
SCHEMBL25929689 0.70 NOS1 (0.38) NOS1SMN1; SMN2LMNAPKM
SCHEMBL12133606 0.69 ALOX5 (0.34) NOS1NPC1RAB9A
SCHEMBL21238429 0.69 NOS1 (0.36) NOS1SMN1; SMN2NPC1GAARAB9A

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-8691810-B2 Pyrrolopyridine and pyrrolopyrimidine inhibitors of kinases ABBVIE INC. (US) 2014-04-08 US disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB NOS1 2915/4885SMN1; SMN2 4417/4885NPC1 3252/4885

“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.