SCHEMBL22792805

SCHEMBL22792805

CC(C)(C)c1cc2ccncc2n1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALOX5AP P20292 2/20 0.35
AOC3 Q16853 6/20 0.34
KCNH2 Q12809 5/20 0.34
CYP19A1 P11511 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HASPIN Q8TF76 1/20 0.33
TOP2A P11388 1/20 0.31

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
SCHEMBL22792804 0.86 ALOX5AP (0.35) MAPTALOX5APRAPGEF4HASPIN
SCHEMBL22792465 0.81 MAPT (0.44) MAPTAOC3KCNH2CYP19A1HASPIN
SCHEMBL22793033 0.81 ALOX5AP (0.38) MAPTALOX5APAOC3KCNH2CYP19A1
SCHEMBL26596994 0.79 ALOX5AP (0.40) MAPTALOX5APAOC3KCNH2CYP19A1
SCHEMBL22792640 0.77 DHFR (0.46) MAPTAOC3KCNH2CYP19A1RAPGEF4
SCHEMBL30194606 0.70 NR1H2 (0.39)
SCHEMBL23478921 0.70 ATM (0.38) MAPTCYP19A1RAPGEF4HASPINTOP2A
SCHEMBL16449989 0.68 KCNH2 (0.41) MAPTKCNH2
SCHEMBL22792909 0.67 DHFR (0.46) RAPGEF4HASPIN
SCHEMBL12775610 0.66 CYP17A1 (0.41) MAPTCYP19A1RAPGEF4HASPIN

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 MAPT 4336/4885ALOX5AP 2853/4885AOC3 4083/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ MAPT 4283/4885ALOX5AP 2534/4885AOC3 4008/4885

“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.