SCHEMBL2869404

SCHEMBL2869404

Nc1nccnc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
HSP90AB1 P08238 3/20 0.45
HSP90AA1 P07900 2/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
MGAM O43451 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CYP3A4 P08684 2/20 0.43
CCR9 P51686 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDC7 O00311 1/20 0.41

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
SCHEMBL18448351 0.80 DPP4 (0.45) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL5205652 0.79 CCR9 (0.45) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL31606910 0.79 CCR9 (0.45) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL7065537 0.78 SCN2A (0.63) ALDH1A1CCR9TSHR
SCHEMBL2868496 0.77 HSP90AB1 (0.49) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL1915790 0.77 DPP4 (0.54) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL7087382 0.76 DPP4 (0.42) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL3814809 0.76 HSP90AB1 (0.45) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL14302415 0.75 HSP90AB1 (0.44) DPP4HSP90AB1HSP90AA1KDM4ERAB9A
SCHEMBL7061715 0.72 RAB9A (0.42) DPP4KDM4ERAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772249-B2 Imidazo[1,2-b]pyridazine compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-16 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-09-21 US disclosed
US-7078405-B2 Imidazo[1,2-b]pyridazine compound EISAI CO., LTD. (JP) 2006-07-18 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1364952-A1 BICYCLIC NITROGENOUS FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2003-11-26 EP 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 (5 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-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH DPP4 2670/4885HSP90AB1 4708/4885HSP90AA1 4646/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH DPP4 1805/4885HSP90AB1 2799/4885HSP90AA1 2247/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH DPP4 2670/4885HSP90AB1 4708/4885HSP90AA1 4646/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH DPP4 1805/4885HSP90AB1 2799/4885HSP90AA1 2247/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 DPP4 3535/4885HSP90AB1 4648/4885HSP90AA1 4496/4885

“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.