SCHEMBL21787899

SCHEMBL21787899

COc1ccc(N(N)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 8/20 0.40
▸ PDK2 Q15119 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ ABL1 P00519 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL21787897 0.92 PDK2 (0.43) PDE4DPDK2MAPTKMT2AMEN1
SCHEMBL21763101 0.88 MEN1 (0.46) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL21787836 0.88 MEN1 (0.49) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL16996132 0.87 PDK2 (0.41) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL21787756 0.86 MEN1 (0.47) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL17903090 0.86 OPRM1 (0.41) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL16996425 0.86 PDK2 (0.40) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL21364231 0.86 PDK2 (0.40) PDE4DPDK2MAPTKMT2AKDM4E
SCHEMBL21763102 0.84 MEN1 (0.42) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL16996137 0.84 PDK2 (0.46) PDE4DPDK2MAPTKMT2AKDM4E

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 PDE4D 4772/4885PDK2 1160/4885MAPT 2927/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 PDE4D 4874/4885PDK2 1400/4885MAPT 3034/4885

“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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