SCHEMBL2014797

SCHEMBL2014797

Cc1cc(Nc2ccc(Cl)cc2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 5/20 0.52
ABCB1 P08183 2/20 0.52
ABCC1 P33527 2/20 0.52
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 2/20 0.50
GBA1 P04062 1/20 0.50
LMNA P02545 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
EGFR P00533 1/20 0.49
ERBB3 P21860 1/20 0.49

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
SCHEMBL2020224 0.90 TGFBR1 (0.73) TGFBR1MEN1KMT2ANPC1RAB9A
SCHEMBL2019268 0.83 KMT2A (0.65) TGFBR1MEN1KMT2ANPC1RAB9A
SCHEMBL2019360 0.78 EGFR (0.55) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2015105 0.76 LMNA (0.58) TGFBR1KMT2ALMNAMAPK1
SCHEMBL4012756 0.75 RAB9A (0.71) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL10330598 0.75 RAB9A (0.71) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL19691062 0.74 TGFBR1 (0.57) TGFBR1MEN1KMT2ANPC1RAB9A
SCHEMBL16391870 0.74 ABCG2 (0.52) TGFBR1KMT2ACYP1A2ABCG2ABCB1
SCHEMBL21977220 0.73 IDH1 (0.42) TGFBR1CYP1A2ABCG2ABCB1ABCC1
SCHEMBL5487020 0.73 ABCG2 (0.69) TGFBR1MEN1KMT2AABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US claimed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP claimed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 WO claimed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 WO disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 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-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCNJ2, KCNN2, KCNN1 TGFBR1 4245/4885MEN1 3229/4885KMT2A 1374/4885

“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.