SCHEMBL2869554

SCHEMBL2869554

CCc1nc2c(Br)nc(C)cn2c1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
GAA P10253 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32

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
SCHEMBL13035422 0.77 KDM4E (0.38) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL2871668 0.74 CNR1 (0.44) KMT2AKDM4EMAPT
SCHEMBL16945271 0.74 MAPT (0.43) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL16447554 0.72 RAB9A (0.45) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL23214476 0.69 NPSR1 (0.36) KMT2AKDM4EALDH1A1MAPK8MAPK9
SCHEMBL33526512 0.69 DAPK3 (0.35) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL31211383 0.68 RXFP1 (0.42) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL19697709 0.67 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL17810292 0.67 SMN1; SMN2 (0.39) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL15812307 0.67 GUCY1B2 (0.44)

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 6 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-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-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 (3 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 KMT2A 3162/4885KDM4E 3054/4885ALDH1A1 4011/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH KMT2A 3162/4885KDM4E 3054/4885ALDH1A1 4011/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 KMT2A 2608/4885KDM4E 3096/4885ALDH1A1 3803/4885

“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.