SCHEMBL27109641

SCHEMBL27109641

Cc1cc2cnccc2c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ADORA2A P29274 1/20 0.39
PRKCH P24723 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCD Q05655 2/20 0.38
HASPIN Q8TF76 3/20 0.38
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL2241088 0.86 CLK1 (0.40) HIPK2ADORA3CLK1CDK5CDK5R1
SCHEMBL27109662 0.84 TOP2A (0.47) HIPK2ADORA3CLK1KDM4EADORA2A
SCHEMBL8404560 0.78 CYP1A2 (0.50) ADORA3CDK5KDM4ELMNACYP1A2
SCHEMBL13707396 0.78 TOP2A (0.46) CLK1CDK5CDK5R1KDM4ELMNA
SCHEMBL17193035 0.78 ADORA3 (0.47) HIPK2ADORA3CLK1CDK5CDK5R1
SCHEMBL14599176 0.77 ALDH1A1 (0.34) KDM4ECYP1A2ALDH1A1MAPTKMT2A
SCHEMBL8404559 0.77 CYP1A2 (0.52) HIPK2CLK1CDK5CDK5R1KDM4E
SCHEMBL1558877 0.76 CLK1 (0.39) CLK1CDK5CDK5R1KDM4ELMNA
SCHEMBL17193036 0.76 KDM4E (0.47) ADORA3CLK1CDK5CDK5R1KDM4E
SCHEMBL8292355 0.75 CLK1 (0.46) CLK1HASPINIMPDH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-29 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-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device CCND1, CCND2, DRD1 HIPK2 3416/4885ADORA3 596/4885CLK1 2800/4885

“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.