SCHEMBL18174583

SCHEMBL18174583

Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c(-c4ccccn4)c3)c3cc(-c4ccccc4)ccc23)cc1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RET P07949 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
GRM5 P41594 4/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
TSHR P16473 3/20 0.36
PKM P14618 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL18174571 0.90 NPC1 (0.44) BTKNPC1KDM4ERETRIPK1
SCHEMBL18174576 0.90 KDM4E (0.37) BTKNPC1KDM4ERETRIPK1
SCHEMBL18174588 0.90 RET (0.41) NPC1KDM4ERETRIPK1RIPK3
SCHEMBL15160908 0.90 KDM4E (0.37) BTKNPC1KDM4ERETRIPK1
SCHEMBL18657149 0.87 NPC1 (0.46) BTKNPC1KDM4EGRM5TSHR
SCHEMBL15160992 0.87 GRM5 (0.37) BTKNPC1KDM4EGRM5PDK2
SCHEMBL16882962 0.83 GRM5 (0.43) BTKNPC1KDM4EGRM5TSHR
SCHEMBL13158627 0.83 LMNA (0.43) NPC1KDM4EGRM5TSHRPKM
SCHEMBL17008142 0.83 LMNA (0.45) NPC1KDM4EGRM5TSHRPKM
SCHEMBL10032909 0.83 KDM4E (0.46) BTKNPC1KDM4EPDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF CELGENE CORPORATION 2015-07-23 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-20150203469-A1 ISOTOPOLOGUES OF 3-(5-AMINO-2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL) PIPERIDINE-2-6-DIONE AND METHODS OF PREPARATION THEREOF AQP3, CYP2D6, CYP3A5 BTK 4746/4885NPC1 2166/4885KDM4E 484/4885

“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.