SCHEMBL22042406

SCHEMBL22042406

O=c1[nH]cnc2ccc(CC(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 8/20 0.61
IP6K3 Q96PC2 4/20 0.61
IP6K2 Q9UHH9 3/20 0.61
PARP1 P09874 9/20 0.58
CHEK1 O14757 1/20 0.54
PIM1 P11309 1/20 0.54
AKT1 P31749 1/20 0.54
FLT3 P36888 1/20 0.54
PIM3 Q86V86 1/20 0.54
SLC2A1 P11166 1/20 0.49
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL25721982 0.88 IP6K1 (0.58) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL25275583 0.88 PARP1 (0.61) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL7427860 0.81 IP6K1 (0.68) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL8170598 0.80 IP6K1 (0.71) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL22980875 0.80 IP6K1 (0.66) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL9911097 0.80 IP6K1 (0.66) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL27947190 0.77 IP6K1 (0.62) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL1360723 0.76 PARP1 (0.77) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL25423828 0.76 IP6K1 (0.47) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL30406194 0.76 IP6K1 (0.47) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022120-A1 Inhibitors of MENIN-MLL Interaction BALA THERAPEUTICS INC (US) 2026-01-22 US disclosed
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 US disclosed
EP-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 EP disclosed
US-12060365-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-08-13 US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 WO disclosed
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 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 (8 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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 IP6K1 3877/4885IP6K3 4142/4885IP6K2 4095/4885
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 IP6K1 1368/4885IP6K3 1609/4885IP6K2 1537/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 IP6K1 3877/4885IP6K3 4142/4885IP6K2 4095/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 IP6K1 3877/4885IP6K3 4142/4885IP6K2 4095/4885
US-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 IP6K1 1368/4885IP6K3 1609/4885IP6K2 1537/4885
US-20260022120-A1 Inhibitors of MENIN-MLL Interaction MEN1, MLLT1, MLLT3 IP6K1 3323/4885IP6K3 2747/4885IP6K2 3101/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 IP6K1 3304/4885IP6K3 3785/4885IP6K2 3553/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 IP6K1 3877/4885IP6K3 4142/4885IP6K2 4095/4885

“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.