SCHEMBL9918302

SCHEMBL9918302

C#Cc1ccc(N2CCC(C(C)C)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 2/20 0.38
PANK3 Q9H999 4/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9920475 0.86 GPR119 (0.55) PARP1GPR119PANK3JAK2JAK3
SCHEMBL9918321 0.81 EGLN1 (0.38) PARP1GPR119MAPTPANK3JAK2
SCHEMBL9918305 0.81 EGLN1 (0.38) PARP1GPR119MAPTPANK3JAK2
SCHEMBL9918301 0.81 EGLN1 (0.38) PARP1GPR119MAPTPANK3JAK2
SCHEMBL9918297 0.80 JAK2 (0.37) PARP1GPR119MAPTPANK3JAK2
SCHEMBL9918323 0.80 JAK2 (0.37) PARP1GPR119MAPTPANK3JAK2
SCHEMBL9918327 0.79 JAK2 (0.36) PARP1GPR119PANK3JAK2JAK3
SCHEMBL9918309 0.79 JAK2 (0.36) PARP1GPR119PANK3JAK2JAK3
SCHEMBL9918304 0.79 JAK2 (0.36) PARP1GPR119PANK3JAK2JAK3
SCHEMBL20756763 0.79 HRH3 (0.52) GPR119MAPTPANK3HRH3

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 PARP1 804/4885GPR119 4381/4885MAPT 4022/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PARP1 1334/4885GPR119 3907/4885MAPT 4366/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PARP1 1254/4885GPR119 3777/4885MAPT 4399/4885

“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.