SCHEMBL1306933

SCHEMBL1306933

Cc1ccc(-c2nnn[nH]2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CA1 P00915 1/20 0.36
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HTR5A P47898 1/20 0.32
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL14468900 0.79 NPC1 (0.37) SMN1; SMN2TDP1ALOX15TP53THRB
SCHEMBL14243388 0.79 AMY1A (0.35) SMN1; SMN2ALOX15THRBALDH1A1NPC1
SCHEMBL1308358 0.79 IDO1 (0.41) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL11360946 0.79 ALDH1A1 (0.42) SMN1; SMN2TDP1CYP3A4THRBALDH1A1
SCHEMBL8987547 0.79 HPGD (0.42) SMN1; SMN2TDP1ALOX15TP53THRB
SCHEMBL3583617 0.78 SMN1; SMN2 (0.38) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL9132608 0.77 SLC6A4 (0.49) SMN1; SMN2TDP1ALDH1A1NPC1RAB9A
SCHEMBL6365723 0.77 TDP1 (0.65) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL30839750 0.77 TDP1 (0.65) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL30839742 0.77 TDP1 (0.65) SMN1; SMN2TDP1ALOX15CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57011975-A None JP disclosed
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 EP disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO disclosed
JP-S5711975-A AMINOPHENYLTETRAZOLE DERIVATIVE AND SALT THEREOF WAKAMOTO PHARMACEUT CO LTD 1982-01-21 JP disclosed
US-4286090-A BLOWING AGENTS; PROPELLANTS; EXPLOSIVES; IGNITERS THE DOW CHEMICAL COMPANY (US) 1981-08-25 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 SMN1; SMN2 3584/4885TDP1 464/4885ALOX15 4261/4885

“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.