SCHEMBL25880407

SCHEMBL25880407

c1ccc2c(c1)c1c(-c3cc(C4CCCCC4)cc(C4CCCCC4)c3)ccc3c1n2c1ccc(-c2cc(C4CCCCC4)cc(C4CCCCC4)c2)c2c4ccccc4n3c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ CREBBP Q92793 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ S1PR1 P21453 1/20 0.30

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
SCHEMBL25880388 0.91 KMO (0.35) PDK2PARP1DHODHCYP3A4CYP2C9
SCHEMBL25880391 0.84 PTPN5 (0.36) PDK2
SCHEMBL25880410 0.81 KMO (0.35) PDK2CYP3A4CYP2C9APP
SCHEMBL25880386 0.80 PTGS2 (0.40) PDK2PARP1MEN1LMNAMAPK1
SCHEMBL22178714 0.78 MEN1 (0.38) PDK2PARP1DHODHCYP3A4CYP2C9
SCHEMBL25880402 0.76 HSD17B10 (0.37) PARP1L3MBTL1MAPT
SCHEMBL22178506 0.75 PARP1 (0.38) PDK2PARP1DHODHCYP3A4CYP2C9
SCHEMBL25880354 0.75 HSD17B10 (0.41) PARP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL25880370 0.75 BRD9 (0.42) CNR1CNR2MEN1MAPK1KMT2A
SCHEMBL25880404 0.74 PTGS2 (0.43) PDK2

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-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — US disclosed
US-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — 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-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, LAGE3, NQO1 PDK2 420/4885PARP1 1101/4885CREBBP 1573/4885

“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.

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