SCHEMBL1820441

SCHEMBL1820441

COCCCc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
TLR7 Q9NYK1 1/20 0.34
ATM Q13315 1/20 0.34
GRM2 Q14416 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 1/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1817841 0.89 GBA1 (0.43) GBA1ATMGRM2TSHRRAB9A
SCHEMBL4763675 0.83 GBA1 (0.42) GBA1RAB9AMBOAT4NPC1LMNA
SCHEMBL4764128 0.81 ALDH1A1 (0.42) GBA1ATMGRM2TSHRRAB9A
SCHEMBL4764131 0.81 GBA1 (0.41) GBA1GRM2RAB9AMBOAT4NPC1
SCHEMBL6920352 0.80 KCNH2 (0.41) TLR7KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL10461384 0.79 GBA1 (0.48) GBA1GRM2TSHRRAB9AKDM4E
SCHEMBL12837851 0.79 GBA1 (0.41) GBA1ATMGRM2TSHRRAB9A
SCHEMBL19313511 0.79 TLR7 (0.34) TLR7SMN1; SMN2SLC6A4
SCHEMBL13895406 0.79 KCNH2 (0.44) TLR7RAB9AKDM4ENPC1LMNA
SCHEMBL2358386 0.78 GBA1 (0.47) GBA1RAB9AKDM4EKMT2ANPC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859543-B2 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8716282-B2 Imidazo[1,2-b]pyridazine derivatives and their use as PDE10 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 US disclosed
EP-2545055-A1 IMIDAZO [1, 2 -A]PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES Janssen Pharmaceutica, N.V. (BE) 2013-01-16 EP disclosed
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (4 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-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 GBA1 2861/4885TLR7 4851/4885ATM 3043/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GBA1 4305/4885TLR7 2144/4885ATM 2092/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 GBA1 2861/4885TLR7 4851/4885ATM 3043/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885TLR7 2789/4885ATM 1791/4885

“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.