SCHEMBL3113403

SCHEMBL3113403

NC(=O)c1cccc(-c2cnc3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
TP53 P04637 1/20 0.59
STAT1 P42224 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.57
MAPT P10636 2/20 0.57
JAK3 P52333 5/20 0.55
MITF O75030 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
ATR Q13535 2/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
JAK2 O60674 1/20 0.54

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
SCHEMBL17184384 0.84 TLR9 (0.61) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL17184512 0.84 NPC1 (0.64) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL944068 0.81 CSNK1G2 (0.74) JAK3
SCHEMBL3709957 0.78 RAB9A (0.58) KMT2ARAB9ANPC1TP53STAT1
SCHEMBL28055713 0.78 CNR1 (0.50) KMT2ARAB9ANPC1TP53SMN1; SMN2
SCHEMBL3460497 0.78 ATR (0.71) ATRLDHB
SCHEMBL3024116 0.78 BCHE (0.67) KMT2ARAB9ANPC1TP53STAT1
SCHEMBL1464105 0.78 NPC1 (1.00) KMT2ARAB9ANPC1TP53STAT1
SCHEMBL1463376 0.77 RAB9A (0.76) KMT2ARAB9ANPC1TP53STAT1
SCHEMBL3711576 0.77 RAB9A (0.64) KMT2ARAB9ANPC1TP53STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
CN-110740993-A Deuterated pyridone amides and prodrugs thereof as sodium channel modulators 沃泰克斯药物股份有限公司 2020-01-31 CN disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (2 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG KMT2A 3672/4885RAB9A 3355/4885NPC1 2094/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMT2A 3672/4885RAB9A 3355/4885NPC1 2094/4885

“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.