SCHEMBL2866056

SCHEMBL2866056

CCOC(=O)c1c(SC)nc2c(Br)cccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
CYP1A2 P05177 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
HCRTR1 O43613 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2869370 0.86 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL20579804 0.84 SMN1; SMN2 (0.78) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL2866073 0.81 HTR6 (0.45) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL8191378 0.79 CYP1A2 (0.80) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL2866076 0.77 ALDH1A1 (0.43) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL2870571 0.76 ALDH1A1 (0.43) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL13035369 0.75 CYP1A2 (0.59) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL30871760 0.74 PDE4A (0.51) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL29876669 0.74 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL20596621 0.74 KDM4E (0.43) SMN1; SMN2CYP1A2KMT2ACYP2C9CYP2C19

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 SMN1; SMN2 3729/4885CYP1A2 1549/4885KMT2A 3162/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH SMN1; SMN2 3729/4885CYP1A2 1549/4885KMT2A 3162/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 SMN1; SMN2 3845/4885CYP1A2 2576/4885KMT2A 2608/4885

“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.