SCHEMBL2471241

SCHEMBL2471241

Nc1nccnc1C(=O)NCC1(c2ccccc2)CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
P2RX7 Q99572 2/20 0.43
PRKCI P41743 1/20 0.43
NAMPT P43490 3/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2469437 0.92 LMNA (0.49) CHRM2ALDH1A1LMNAP2RX7SMN1; SMN2
SCHEMBL2495626 0.91 CYP2D6 (0.47) ALDH1A1LMNAP2RX7SMN1; SMN2ALOX15
SCHEMBL2491434 0.80 OPRD1 (0.48) P2RX7MEN1KMT2A
SCHEMBL2470148 0.79 SLC6A9 (0.46) ALDH1A1LMNAP2RX7SMN1; SMN2POLB
SCHEMBL2469913 0.79 P2RX7 (0.45) ALDH1A1LMNAP2RX7SMN1; SMN2POLB
SCHEMBL13594092 0.79 PIK3CD (0.41) ALDH1A1LMNAP2RX7PRKCINAMPT
SCHEMBL13182929 0.79 MEN1 (0.47) ALDH1A1LMNAP2RX7NAMPTPOLB
SCHEMBL13183077 0.79 CYP2D6 (0.45) ALDH1A1LMNAP2RX7SMN1; SMN2ALOX15
SCHEMBL2702768 0.79 ALDH1A1 (0.62) CHRM2ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL13593988 0.79 OPRD1 (0.49) P2RX7NAMPTKDM4EALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CHRM2 2502/4885ALDH1A1 3941/4885LMNA 1070/4885

“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.