SCHEMBL22980341

SCHEMBL22980341

N#Cc1c(I)ccnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
KDM4E B2RXH2 3/20 0.33
LRRK2 Q5S007 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ABL1 P00519 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL27427296 0.78 PRKACA (0.46) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL31622333 0.75 LRRK2 (0.40) PRKACAPRKACGPRKACBKDM4ELRRK2
SCHEMBL15741185 0.75 LRRK2 (0.40) PRKACAPRKACGPRKACBKDM4ELRRK2
SCHEMBL565899 0.75 HTT (0.41) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL1261198 0.75 NOS2 (0.54) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL7912645 0.75 PRKACA (0.38) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL30073015 0.75 BCL6 (0.37) KDM4ELRRK2MEN1ALDH1A1MAPT
SCHEMBL844956 0.75 BCL6 (0.37) KDM4ELRRK2MEN1ALDH1A1MAPT
SCHEMBL2237565 0.75 SMN1; SMN2 (0.36) PRKACAPRKACGPRKACBKDM4EMEN1
SCHEMBL15691414 0.75 NTRK1 (0.37) KDM4EMEN1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 PRKACA 321/4885PRKACG 486/4885PRKACB 471/4885

“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.