SCHEMBL19320105

SCHEMBL19320105

Brc1ccc2c(c1)sc1cc3[nH]c4ncccc4c3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
MAPT P10636 5/20 0.41
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
GSK3B P49841 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
AURKA O14965 1/20 0.37
PARP1 P09874 1/20 0.37
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
PIM1 P11309 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
FLT4 P35916 1/20 0.35
GSK3A P49840 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL21070513 0.81 MAPT (0.49) CHEK1MAPTCCNB2CDK1CCNB1
SCHEMBL674822 0.78 CHUK (0.54) CHEK1MAPTCCNB2CDK1CCNB1
SCHEMBL30273970 0.78 CHUK (0.54) CHEK1MAPTCCNB2CDK1CCNB1
SCHEMBL18647209 0.77 MAPT (0.45) MAPTCCNB2CDK1CCNB1GSK3B
SCHEMBL27452512 0.77 MAPT (0.47) CHEK1MAPTGSK3BAURKAPARP1
SCHEMBL19830543 0.75 AR (0.45) MAPTCCNB2CDK1CCNB1CCNB3
SCHEMBL16475866 0.73 CHEK1 (0.45) CHEK1MAPTAURKAPARP1MEN1
SCHEMBL17740735 0.72 CLK1 (0.42) MAPTCCNB2CDK1CCNB1GSK3B
SCHEMBL15318796 0.71 PARP1 (0.48) MAPTPARP1MEN1KMT2AADORA2A
SCHEMBL258838 0.71 GPR3 (0.61) MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 CHEK1 3135/4885MAPT 954/4885CCNB2 1667/4885

“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.