SCHEMBL19731973

SCHEMBL19731973

C=Nc1c(/C=C\C)sc2cccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.34
CLK1 P49759 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL20858439 0.85 KDM4E (0.36) LIMK1CLK1KDM4EMEN1POLB
SCHEMBL20124296 0.83 LIMK1 (0.36) LIMK1CLK1KDM4EMEN1POLB
SCHEMBL19732034 0.69 LIMK1 (0.37) LIMK1CLK1KDM4EMEN1MAPT
SCHEMBL19944330 0.69 LMNA (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL19721397 0.68 MEN1 (0.34) MEN1KMT2A
SCHEMBL20041730 0.66 NPC1 (0.37) LIMK1CLK1KDM4EMEN1POLB
SCHEMBL24300010 0.65 LMNA (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL10054253 0.65 LIMK1 (0.57) LIMK1CLK1KDM4EMAPTALDH1A1
SCHEMBL720703 0.64 HSP90AA1 (0.41) LIMK1CLK1KDM4EMEN1POLB
SCHEMBL25467714 0.64 LIMK1 (0.36) LIMK1CLK1KDM4EPOLBALDH1A1

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-10833276-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-11-10 US disclosed
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 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-10833276-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, TYR LIMK1 2037/4885CLK1 3169/4885KDM4E 3046/4885
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT LIMK1 1025/4885CLK1 3452/4885KDM4E 4056/4885

“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.