SCHEMBL24704435

SCHEMBL24704435

Cc1nc(N[C@@H](C)c2ccc(I)cc2)c2ccoc2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 13/20 0.40
▸ KRAS P01116 12/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.33

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
SCHEMBL22862686 0.81 EGFR (0.50) SOS1KRASHTTKDM4ETSHR
SCHEMBL29490225 0.81 EGFR (0.50) SOS1KRASHTTKDM4ETSHR
SCHEMBL24704630 0.73 MIF (0.37) SOS1KRASPDE2A
SCHEMBL24175234 0.72 EGFR (0.36) KDM4ETSHREGFRMEN1KMT2A
SCHEMBL22862575 0.68 EGFR (0.37) SOS1KRASHTTKDM4ETSHR
SCHEMBL29490242 0.68 EGFR (0.37) SOS1KRASHTTKDM4ETSHR
SCHEMBL24159538 0.68 KDM4E (0.36) KDM4ETSHREGFRMEN1MAPT
SCHEMBL22862611 0.68 EGFR (0.50) SOS1KRASHTTKDM4ETSHR
SCHEMBL29490232 0.68 EGFR (0.50) SOS1KRASHTTKDM4ETSHR
SCHEMBL22862964 0.68 EGFR (0.50) SOS1KRASHTTKDM4ETSHR

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 SOS1 1949/4885KRAS 77/4885HTT 3627/4885

“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.

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