SCHEMBL2870571

SCHEMBL2870571

CCOC(=O)c1c(SC)nc2c(OC)nccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 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
SCHEMBL2866076 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2866056 0.76 SMN1; SMN2 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2869370 0.75 SMN1; SMN2 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL9517362 0.71 MAPK1 (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2866073 0.70 HTR6 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL16447922 0.69 SMN1; SMN2 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL16447971 0.68 SMN1; SMN2 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL14507509 0.67 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL18189892 0.67 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL18113747 0.66 HSD17B10 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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 ALDH1A1 4011/4885KDM4E 3054/4885HPGD 2368/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH ALDH1A1 4011/4885KDM4E 3054/4885HPGD 2368/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 ALDH1A1 3803/4885KDM4E 3096/4885HPGD 2874/4885

“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.