SCHEMBL2448489

SCHEMBL2448489

CC1=C(c2nc3ccccc3n2Cc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
TP53 P04637 4/20 0.42
ALDH1A1 P00352 6/20 0.42
PDE6D O43924 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 4/20 0.40
TNF P01375 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 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
SCHEMBL2449432 0.86 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8TP53
SCHEMBL2449539 0.81 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL2451614 0.78 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL2451196 0.77 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8TP53
SCHEMBL2449450 0.76 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL2446168 0.76 CNR2 (0.43) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL2449512 0.75 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2451114 0.74 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2449736 0.74 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8TP53
SCHEMBL12331952 0.73 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237891-B1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP claimed
US-20040063687-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S (US) 2004-04-01 US claimed
US-20030022890-A1 Heterocyclic dihydropyrimidine compounds PEDESTRIAN CONCEPTS LLC 2003-01-30 US claimed
EP-1237891-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-11 EP claimed
WO-2001040231-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-07 WO claimed
EP-1237891-B1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
EP-1237891-B1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541362-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20040063687-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S (US) 2004-04-01 US disclosed
US-6706720-B2 TREATMENT OF ARRHYTHMIA; INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
US-20030022890-A1 Heterocyclic dihydropyrimidine compounds PEDESTRIAN CONCEPTS LLC 2003-01-30 US disclosed
EP-1237891-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-11 EP disclosed
WO-2001040231-A1 HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-07 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 (3 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-20040063687-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNH2, KCNH1 ABCC9 297/4885ABCC8 292/4885KCNJ11 21/4885
US-20030022890-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNH2, KCNH1 ABCC9 297/4885ABCC8 292/4885KCNJ11 21/4885
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNQ5, KCNQ2 ABCC9 246/4885ABCC8 268/4885KCNJ11 33/4885

“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.