SCHEMBL22792452

SCHEMBL22792452

CCCC(C)(C)c1ccc2ccncc2c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TOP2A P11388 1/20 0.32
TNF P01375 1/20 0.32
MAPK10 P53779 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
MAOA P21397 1/20 0.30
WNT3A P56704 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL19257091 0.79 IMPDH2 (0.47) HTR2AHTR2CHTR2B
SCHEMBL19256234 0.77 IMPDH2 (0.36) HTR2AHTR2CHTR2BKDM4C
SCHEMBL22043381 0.75 PRKCH (0.33)
SCHEMBL19185523 0.75 TDP1 (0.34)
SCHEMBL25541010 0.73 SSTR4 (0.46)
SCHEMBL8404561 0.72 CYP2A6 (0.52) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL22043055 0.71 CYP2E1 (0.36) KDM4C
SCHEMBL19440742 0.70 LOXL2 (0.39)
SCHEMBL22043393 0.70 HDAC8 (0.32)
SCHEMBL22140358 0.70 GAA (0.34)

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 CLK1 4147/4885DYRK1A 1564/4885HTR2A 4068/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ CLK1 4148/4885DYRK1A 1313/4885HTR2A 3938/4885

“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.