SCHEMBL23326985

SCHEMBL23326985

Cn1cc(-c2cc3c(Oc4ccc5c(c4)CN(C(=O)O)CC5)c(F)cnc3[nH]2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 16/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ TYRO3 Q06418 2/20 0.38
▸ MERTK Q12866 2/20 0.38
▸ AXL P30530 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL21470706 0.90 NR1H2 (0.42) KITPDGFRBKDRAURKBTYRO3
SCHEMBL21470708 0.89 KIT (0.42) KITPDGFRBKDRAURKBPRMT5
SCHEMBL23326974 0.83 MERTK (0.47) KITPDGFRBKDRAURKBTYRO3
SCHEMBL21470707 0.81 TYRO3 (0.44) KITPDGFRBKDRAURKBTYRO3
SCHEMBL21470533 0.81 KIT (0.44) KITKDRTYRO3MERTKAXL
SCHEMBL21470715 0.80 KIT (0.45) KIT
SCHEMBL21470718 0.80 KIT (0.40) KIT
SCHEMBL23327012 0.80 F10 (0.36) —
SCHEMBL21470842 0.80 KIT (0.43) KITKDRTYRO3MERTKGSK3B
SCHEMBL21470719 0.79 HCK (0.46) KITKDR

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 KIT 1130/4885PDGFRB 2327/4885KDR 2885/4885

“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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