SCHEMBL24813337

SCHEMBL24813337

CC(C)c1nc2cc(-c3ccc4c(-c5ccc6c(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccc(-c%10ccnc%11ccccc%10%11)cc89)cc7)cccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.38
CYP1A2 P05177 2/20 0.38
ACVR1 Q04771 7/20 0.38
MET P08581 1/20 0.36
ERN1 O75460 1/20 0.35
PIK3CA P42336 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
GRM4 Q14833 3/20 0.33
CRBN Q96SW2 1/20 0.33
HTR2B P41595 1/20 0.33
MTNR1A P48039 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK10 P53779 1/20 0.33
BMP4 P12644 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
SCHEMBL14499591 0.84 PDE10A (0.44) PDE10ACYP1A2PIK3CACRBNKCNH2
SCHEMBL14499583 0.83 PDE10A (0.40) PDE10ACYP1A2CRBN
SCHEMBL24674409 0.81 PDE10A (0.44) PDE10ACYP1A2PIK3CACRBNKCNH2
SCHEMBL14499584 0.80 PDE10A (0.47) PDE10ACYP1A2PIK3CACRBNKCNH2
SCHEMBL14499570 0.80 PDE10A (0.42) PDE10ACYP1A2PIK3CACRBNMAPK10
SCHEMBL15977658 0.76 PIK3CA (0.50) CYP1A2ACVR1ERN1PIK3CAAAK1
SCHEMBL15977435 0.76 ACVR1 (0.50) CYP1A2ACVR1METERN1PIK3CA
SCHEMBL18999438 0.76 PTGER4 (0.34)
SCHEMBL24674275 0.76 CRBN (0.46) PDE10ACYP1A2PIK3CACRBNKCNH2
SCHEMBL24674134 0.76 CRBN (0.46) PDE10ACYP1A2PIK3CACRBNKCNH2

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-20220416178-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2022-12-29 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-20220416178-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, TMEM109, SLC39A14 PDE10A 4149/4885CYP1A2 988/4885ACVR1 3843/4885

“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.