SCHEMBL9923340

SCHEMBL9923340

CC1CCN(Cc2ccccc2)CC1N(C)c1c(C(=O)O)cnn2cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
SPR P35270 1/20 0.39
ACHE P22303 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM4 P08173 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BCHE P06276 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9920438 0.93 JAK2 (0.46) JAK3JAK2JAK1TYK2SPR
SCHEMBL9898496 0.84 JAK1 (0.47) JAK3JAK2JAK1TYK2ACHE
SCHEMBL9923315 0.84 JAK1 (0.47) JAK3JAK2JAK1TYK2ACHE
SCHEMBL9920436 0.84 JAK1 (0.45) JAK3JAK2JAK1TYK2ACHE
SCHEMBL9920321 0.84 JAK1 (0.45) JAK3JAK2JAK1TYK2ACHE
SCHEMBL9920437 0.80 JAK2 (0.50) JAK3JAK2JAK1TYK2ACHE
SCHEMBL12395231 0.78 JAK3 (0.60) JAK3JAK2JAK1TYK2ACHE
SCHEMBL28452764 0.77 JAK1 (0.66) JAK3JAK2JAK1TYK2
SCHEMBL1160601 0.74 JAK2 (0.55) JAK3JAK2JAK1TYK2
SCHEMBL12395224 0.73 JAK3 (0.52) JAK3JAK2JAK1TYK2ACHE

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.