SCHEMBL3877145

SCHEMBL3877145

Cc1cc(Br)ccc1Nc1cc2nnc(C)n2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MPO P05164 1/20 0.37
MAP2K1 Q02750 2/20 0.37
METAP2 P50579 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
SORT1 Q99523 3/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3875114 0.90 MAP2K1 (0.38) MEN1KMT2AALDH1A1MAP2K1MAPT
SCHEMBL3880754 0.86 IDO1 (0.56) MEN1KMT2AIDO1MAP2K1MAP2K2
SCHEMBL3887781 0.79 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL3887785 0.79 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL5177890 0.76 MAP2K1 (0.60) MEN1KMT2AALDH1A1MAP2K1METAP2
SCHEMBL3873028 0.73 MAP2K1 (0.52) MEN1KMT2AIDO1ALDH1A1MAP2K1
SCHEMBL3975034 0.71 MAP2K1 (0.41) MEN1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL6035661 0.71 CLCN2 (0.54) MEN1KMT2AIDO1ALDH1A1AKR1C3
SCHEMBL22852818 0.71 TAS2R14 (0.60) ALDH1A1AKR1C3AKR1C2MPOKDM4E
SCHEMBL29382916 0.71 TAS2R14 (0.60) ALDH1A1AKR1C3AKR1C2MPOKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828184-B1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES MERCK SERONO SA (CH) 2009-09-16 EP disclosed
EP-1828184-B1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES MERCK SERONO SA (CH) 2009-09-16 EP disclosed
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
EP-1828184-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006058752-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2006-06-08 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-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases CDK4, CDK3, BRAF MEN1 1626/4885KMT2A 2072/4885IDO1 1077/4885

“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.