SCHEMBL23729917

SCHEMBL23729917

O=C(Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
HDAC2 Q92769 1/20 0.46
STK33 Q9BYT3 3/20 0.46
PARP14 Q460N5 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ITK Q08881 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK1 O14757 1/20 0.43
KDR P35968 1/20 0.43
EGFR P00533 2/20 0.43
PIK3CA P42336 2/20 0.43
DHODH Q02127 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL11724397 0.90 PARP14 (0.55) P2RY1HDAC2STK33PARP14ITK
SCHEMBL3737843 0.89 P2RY1 (0.51) P2RY1HDAC2STK33PARP14ITK
SCHEMBL3742777 0.84 TOP1 (0.59) P2RY1TDP1HDAC2STK33PARP14
SCHEMBL3738262 0.82 TOP1 (0.58) P2RY1TDP1HDAC2STK33PARP14
Pyrimidine SCHEMBL3397113 0.82 ITK (0.52) P2RY1STK33PARP14ITKKDR
SCHEMBL2740082 0.80 PDE4D (0.57) MEN1TP53KMT2ACHEK1
SCHEMBL11726409 0.79 P2RY1 (0.56) P2RY1TDP1PARP14ITKMEN1
SCHEMBL3743012 0.79 LMNA (0.54) P2RY1TDP1MEN1TP53KMT2A
SCHEMBL3538594 0.79 P2RY1 (0.51) P2RY1KMT2ACHEK1KDR
SCHEMBL2740084 0.78 MEN1 (0.56) P2RY1TDP1STK33PARP14MEN1

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-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 US disclosed
EP-3858831-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT Materials Co., Ltd. (KR) 2021-08-04 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 (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-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 P2RY1 582/4885TDP1 3035/4885HDAC2 2218/4885

“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.