SCHEMBL9918359

SCHEMBL9918359

CNC(=O)COc1ccc(C(C)C)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.68
ACHE P22303 3/20 0.68
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.51
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PDK2 Q15119 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.46

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
SCHEMBL14790988 0.84 BCHE (0.48) BCHEACHESMN1; SMN2LMNATSHR
SCHEMBL10717259 0.84 TDP1 (0.64) BCHEACHESMN1; SMN2TSHRTDP1
SCHEMBL24112746 0.82 TDP1 (0.72) SMN1; SMN2LMNATSHRTDP1PKM
SCHEMBL9923324 0.81 TSHR (0.56) BCHEACHESMN1; SMN2LMNATSHR
SCHEMBL15652108 0.79 TSHR (0.52) BCHEACHESMN1; SMN2LMNATSHR
SCHEMBL8430118 0.79 RAB9A (0.68) BCHEACHESMN1; SMN2LMNATDP1
SCHEMBL15332288 0.77 ALDH1A1 (0.71) SMN1; SMN2LMNATSHRTDP1PKM
SCHEMBL8426765 0.75 HPGD (0.64) SMN1; SMN2LMNATSHRTDP1PKM
SCHEMBL11951613 0.75 ALDH1A1 (0.48) BCHEACHESMN1; SMN2LMNATSHR
SCHEMBL14600652 0.74 SMN1; SMN2 (0.41) BCHEACHESMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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 (3 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 BCHE 4820/4885ACHE 4861/4885SMN1; SMN2 3917/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 BCHE 4734/4885ACHE 4857/4885SMN1; SMN2 4086/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 BCHE 4643/4885ACHE 4814/4885SMN1; SMN2 4199/4885

“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.