SCHEMBL22158783

SCHEMBL22158783

O=Cc1ccc2c(-c3ccccc3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.54
KIF11 P52732 2/20 0.50
AXL P30530 1/20 0.49
PARP1 P09874 1/20 0.46
HASPIN Q8TF76 1/20 0.46
MMP2 P08253 1/20 0.43
TTK P33981 1/20 0.43
NR4A2 P43354 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ASH1L Q9NR48 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
TDO2 P48775 2/20 0.41
CYP2A6 P11509 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
SCHEMBL21232993 0.87 KIF11 (0.50) IMPDH2KIF11AXLPARP1HASPIN
SCHEMBL28005054 0.81 ASH1L (0.50) KIF11AXLASH1LTDO2
SCHEMBL30593684 0.81 NTRK1 (0.44) KIF11AXLASH1LTDO2
SCHEMBL19586379 0.81 NTRK1 (0.44) KIF11AXLASH1LTDO2
SCHEMBL28928045 0.80 NR4A2 (0.62) IMPDH2KIF11PARP1NR4A2MAPK1
SCHEMBL28004671 0.80 CLK1 (0.48) IMPDH2MMP2ASH1LPRKAB2PRKAG1
SCHEMBL10227492 0.79 AXL (0.58) IMPDH2KIF11AXLNR4A2MAPK1
SCHEMBL5259184 0.79 NR4A2 (0.60) IMPDH2KIF11PARP1NR4A2MAPK1
SCHEMBL29147512 0.76 KIF11 (0.47) IMPDH2KIF11AXLHASPINTTK
SCHEMBL28648087 0.76 CYP2A6 (0.47) IMPDH2KIF11ASH1LCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631548-B Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2023-06-06 CN claimed
CN-113631548-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2021-11-09 CN claimed
CN-113631548-B Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2023-06-06 CN disclosed
CN-113631548-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2021-11-09 CN disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US 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 (1 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A IMPDH2 129/4885KIF11 3197/4885AXL 2842/4885

“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.