SCHEMBL24672383

SCHEMBL24672383

O=c1cc(-c2cccc(=O)[nH]2)nc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ABL1 P00519 2/20 0.41
RIN1 Q13671 1/20 0.41
MAP2K1 Q02750 2/20 0.38
PIM1 P11309 3/20 0.37
GCK P35557 1/20 0.35
PARP1 P09874 2/20 0.34
JAK2 O60674 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL9888383 0.73 ABL1 (0.38) ABL1RIN1MAP2K1PIM1PARP1
SCHEMBL8515018 0.72 NOTUM (0.54) NOTUMMAP2K1PIM1GCKBTK
SCHEMBL24896854 0.72 BTK (0.54) NOTUMMAP2K1PIM1BTKCYP3A4
SCHEMBL3451431 0.72 XDH (0.49) NOTUMABL1RIN1GSK3BXDH
SCHEMBL3042222 0.72 CHEK1 (0.49) NOTUMGSK3BCDK5BTKXDH
SCHEMBL29465036 0.71 KDM4A (0.45) NOTUMPIM1
SCHEMBL8535240 0.71 NOTUM (0.68) NOTUMMAP2K1PIM1GCKNPY5R
SCHEMBL5709792 0.70 NOTUM (0.52) NOTUMGSK3BCDK5BTKNPY5R
Hydrochloric Acid SCHEMBL29856925 0.70 XDH (0.47) NOTUMABL1RIN1GSK3BXDH
SCHEMBL29664837 0.70 NOTUM (0.52) NOTUMGSK3BCDK5BTKNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 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 (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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NOTUM 4201/4885ABL1 56/4885RIN1 1366/4885

“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.