SCHEMBL22792804

SCHEMBL22792804

CC(C)(C)c1cc2cnccc2n1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
HASPIN Q8TF76 1/20 0.33
ATM Q13315 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22792805 0.86 MAPT (0.37) ALOX5APRAPGEF4HASPINMAPT
SCHEMBL23478921 0.81 ATM (0.38) RAPGEF4HASPINATMMAPTKDM4E
SCHEMBL26596989 0.79 ALOX5AP (0.40) ALOX5APRAPGEF4HASPINATMMAPT
SCHEMBL22792909 0.77 DHFR (0.46) RAPGEF4HASPINATMKDM4EMEN1
SCHEMBL12604116 0.72 PDE3B (0.36) ALOX5APRAPGEF4ATMMAPT
SCHEMBL16449989 0.71 KCNH2 (0.41) MAPTMEN1CYP1A2CYP2C19KMT2A
SCHEMBL22792465 0.70 MAPT (0.44) HASPINATMMAPT
SCHEMBL26618989 0.68 DHFR (0.38) ALOX5APHASPIN
SCHEMBL22792640 0.67 DHFR (0.46) RAPGEF4HASPINATMMAPTKDM4E
SCHEMBL22793033 0.67 ALOX5AP (0.38) ALOX5APRAPGEF4HASPINMAPT

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-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 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-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 ALOX5AP 2853/4885RAPGEF4 635/4885HASPIN 649/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ ALOX5AP 2534/4885RAPGEF4 687/4885HASPIN 542/4885

“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.