SCHEMBL22980875

SCHEMBL22980875

O=c1[nH]cnc2ccc(CO)cc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 10/20 0.66
▸ IP6K3 Q96PC2 5/20 0.66
▸ IP6K2 Q9UHH9 3/20 0.66
▸ PARP1 P09874 8/20 0.63
▸ CHEK1 O14757 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ AKT1 P31749 1/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ PIM3 Q86V86 1/20 0.58
▸ SLC2A1 P11166 1/20 0.56
▸ PDPK1 O15530 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51

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
SCHEMBL4066634 0.87 PARP1 (0.58) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL7427860 0.85 IP6K1 (0.68) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL9911097 0.83 IP6K1 (0.66) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL496967 0.83 IP6K1 (0.65) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL17080826 0.82 IP6K1 (0.64) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL8170598 0.81 IP6K1 (0.71) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL27947190 0.81 IP6K1 (0.62) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL28224560 0.80 IP6K1 (0.62) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL22042406 0.80 IP6K1 (0.61) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL20334906 0.80 IP6K1 (0.61) IP6K1IP6K3IP6K2PARP1CHEK1

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
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 — — US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 — — EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 — — WO 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 IP6K1 1097/4885IP6K3 1145/4885IP6K2 1253/4885

“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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