SCHEMBL3880926

SCHEMBL3880926

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
MAP2K1 Q02750 8/20 0.41
MAP2K2 P36507 3/20 0.40
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
PTPRE P23469 1/20 0.38
PTPN6 P29350 1/20 0.38
TYK2 P29597 5/20 0.38
JAK1 P23458 4/20 0.38
JAK2 O60674 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL3885107 0.85 SORT1 (0.44) IDO1TYK2JAK1JAK2GABRP
SCHEMBL3883164 0.85 IDO1 (0.47) IDO1MAP2K1MAP2K2TYK2JAK1
SCHEMBL3937883 0.82 IDO1 (0.60) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL5678007 0.77 IDO1 (0.70) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL2022461 0.74 IDO1 (0.60) IDO1MAP2K1MAP2K2
SCHEMBL4861357 0.74 IDO1 (0.66) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL23832253 0.74 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5677981 0.73 IDO1 (0.61) IDO1MEN1KMT2ATDP1
SCHEMBL6035263 0.73 IDO1 (0.65) IDO1MAP2K1MAP2K2PTPRCPTPN2
SCHEMBL4855512 0.73 IDO1 (0.61) 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.