SCHEMBL9918364

SCHEMBL9918364

C#CCOc1ccc(C(C)C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PGK1 P00558 1/20 0.43
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
CASR P41180 5/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12832999 0.84 PDK2 (0.38) LMNATSHRKMT2APDK2PPARG
SCHEMBL11557167 0.80 LMNA (0.45) LMNAPGK1HPGDTSHRMAPK1
SCHEMBL11951613 0.80 ALDH1A1 (0.48) LMNATSHRALDH1A1RAB9AKMT2A
SCHEMBL13499053 0.78 LMNA (0.47) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL3638624 0.78 HPGD (0.58) LMNAPGK1HPGDTSHRMAPK1
SCHEMBL12356908 0.77 CSNK2A1 (0.57) HPGDALDH1A1RAB9AKMT2AKDM4E
SCHEMBL10187829 0.75 GSTP1 (0.49) CASRMAOAMAOBKMT2APYCR1
SCHEMBL12180464 0.75 S1PR4 (0.44) LMNAHPGDCASRMAPK1NPC1
SCHEMBL14157351 0.75 LMNA (0.55) LMNAPGK1HPGDTSHRMAPK1
SCHEMBL16150399 0.75 LMNA (0.55) LMNAPGK1HPGDTSHRMAPK1

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 3 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-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

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 LMNA 4792/4885PGK1 546/4885HPGD 858/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 LMNA 4684/4885PGK1 1154/4885HPGD 690/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 LMNA 4638/4885PGK1 1131/4885HPGD 545/4885

“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.