SCHEMBL22793012

SCHEMBL22793012

Cc1nc2cnccc2cc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.36
LATS1 O95835 9/20 0.35
LATS2 Q9NRM7 7/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TNIK Q9UKE5 1/20 0.33
ALOX5 P09917 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PIP4K2A P48426 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL13233191 0.82 RPS6KA3 (0.36) RPS6KA3LATS1LATS2USP2HTT
SCHEMBL24249190 0.81 RPS6KA3 (0.42) RPS6KA3LATS1LATS2MAP4K4MINK1
SCHEMBL22792741 0.78 RPS6KA3 (0.34) RPS6KA3LATS1LATS2MAP4K4MINK1
SCHEMBL13263596 0.77 CSNK1D (0.37) LATS1LATS2MAP4K4MINK1TNIK
SCHEMBL12388168 0.76 ALDH1A1 (0.55) HTTPDE10A
SCHEMBL13263764 0.75 MAP4K4 (0.36) LATS1LATS2USP2HTTNCOA1
SCHEMBL12778210 0.75 PRKCZ (0.44) RPS6KA3ALOX5CSNK1DCSNK1ECLK1
SCHEMBL19070575 0.74 HASPIN (0.38) MAP4K4MINK1TNIKCSNK1DCSNK1E
SCHEMBL6004354 0.74 HPGD (0.58) HTTMAP4K4MINK1TNIKCSNK1D
SCHEMBL19068654 0.73 PRKCZ (0.40) RPS6KA3CSNK1DCSNK1ECLK1DYRK1A

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 RPS6KA3 1133/4885LATS1 817/4885LATS2 1046/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ RPS6KA3 1228/4885LATS1 724/4885LATS2 913/4885

“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.