SCHEMBL2359607

SCHEMBL2359607

Nc1c(C(=O)O)cnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.48
JAK2 O60674 12/20 0.44
JAK3 P52333 11/20 0.44
JAK1 P23458 9/20 0.44
NOTUM Q6P988 1/20 0.43
TYK2 P29597 4/20 0.43
NUDT1 P36639 1/20 0.41
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL12876743 0.87 JAK2 (0.53) JAK2JAK3JAK1TYK2NUDT1
SCHEMBL1082037 0.83 AXL (0.47) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL28798529 0.83 TTBK1 (0.48) JAK2JAK3JAK1NUDT1MAP2K1
SCHEMBL29656385 0.83 TTBK1 (0.48) JAK2JAK3JAK1NUDT1MAP2K1
SCHEMBL24628649 0.81 JAK2 (0.42) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL31175280 0.80 MGLL (0.42) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL29588316 0.80 AXL (0.56) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL21816126 0.80 MGLL (0.42) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL1154022 0.80 AXL (0.56) JAK2JAK3JAK1NOTUMTYK2
SCHEMBL22620159 0.78 JAK3 (0.46) JAK2JAK3JAK1TYK2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed
WO-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 WO disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 HAVCR2 1006/4885JAK2 206/4885JAK3 845/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 HAVCR2 1006/4885JAK2 206/4885JAK3 845/4885

“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.