SCHEMBL3937883

SCHEMBL3937883

Cc1cc(I)ccc1Nc1cc(Cl)ncc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.60
MAP2K1 Q02750 8/20 0.41
MAP2K2 P36507 2/20 0.41
DHODH Q02127 4/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLCN2 P51788 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 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
SCHEMBL17134758 0.87 RAB9A (0.49) IDO1DHODHALDH1A1HPGDRAB9A
SCHEMBL24550893 0.85 CLCN2 (0.48) IDO1DHODHCLCN2
SCHEMBL30824174 0.85 CLCN2 (0.48) IDO1DHODHCLCN2
SCHEMBL12129602 0.85 MAP2K1 (0.56) IDO1MAP2K1MAP2K2
SCHEMBL3873690 0.84 TP53 (0.49) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL17688897 0.83 AKR1C3 (0.48) DHODHHPGDMEN1USP2KMT2A
SCHEMBL3880926 0.82 IDO1 (0.58) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5680871 0.80 IDO1 (0.61) IDO1MAP2K1MAP2K2ALDH1A1RAB9A
SCHEMBL17134862 0.79 CLCN2 (0.52) DHODHRAB9ASMN1; SMN2CLCN2MEN1
SCHEMBL5678007 0.79 IDO1 (0.70) IDO1MAP2K1MAP2K2PTPRCPTPN2

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 4 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
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 IDO1 1077/4885MAP2K1 114/4885MAP2K2 117/4885

“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.