SCHEMBL21787897

SCHEMBL21787897

COc1ccc(N(N)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.43
▸ PDE4D Q08499 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ CES1 P23141 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL21787899 0.92 PDE4D (0.40) PDK2PDE4DABL1ABCB1BCR
SCHEMBL21787835 0.87 PGR (0.42) PDK2PDE4DABL1ABCB1BCR
SCHEMBL21788107 0.86 PDK2 (0.41) PDK2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20159380 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL29352894 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL29353071 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL29589092 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL30182778 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL185216 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR
SCHEMBL259184 0.85 PDK2 (0.44) PDK2PDE4DABL1ABCB1BCR

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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 — — 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 (2 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP PDK2 1160/4885PDE4D 4772/4885ABL1 851/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 PDK2 1400/4885PDE4D 4874/4885ABL1 1020/4885

“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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