SCHEMBL23827644

SCHEMBL23827644

Oc1ccc(-c2cc3c(NCCc4ccccc4)nc[nH]c-3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ACP1 P24666 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ ESR1 P03372 4/20 0.41
▸ TTBK1 Q5TCY1 1/20 0.40
▸ TTBK2 Q6IQ55 1/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ AURKA O14965 1/20 0.39
▸ IP6K1 Q92551 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
Pki-166 SCHEMBL173524 0.75 EGFR (0.50) EGFRKDR
SCHEMBL1435666 0.67 EGFR (0.79) MAPK1HTTEGFRKDRTTBK1
SCHEMBL15529333 0.67 KDM4E (0.49) HTTTAAR1JAK2JAK1TYK2
SCHEMBL27706712 0.65 — —
SCHEMBL5805069 0.65 HRH4 (0.70) EGFRKDR
SCHEMBL7090103 0.64 STAT6 (0.48) EGFRKDRESR1ESR2STAT6
SCHEMBL6765780 0.64 MAPK1 (0.67) MAPK1
SCHEMBL3392038 0.63 L3MBTL1 (0.70) MEN1KMT2A
SCHEMBL4814372 0.63 ADORA2A (0.51) AURKAMEN1KMT2A
SCHEMBL14907832 0.62 DDX3X (0.51) HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097195-A1 THERAPEUTIC INDAZOLE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2023-06-01 — — WO disclosed
WO-2022266069-A1 TRICYCLIC KRAS G12D INHIBITORS ERASCA, INC. (US) 2022-12-22 — — WO disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 — — 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-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA NUDT1 2461/4885MAPK1 2887/4885HTT 581/4885

“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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