SCHEMBL18174568

SCHEMBL18174568

Cc1ccc(-c2ccccn2)cc1-c1c2ccccc2c(-c2cc(-c3ccccn3)ccc2C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
RIPK1 Q13546 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
DHODH Q02127 1/20 0.43
PDK2 Q15119 1/20 0.43
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL18174588 0.90 RET (0.41) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL18174558 0.87 KDM4E (0.44) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL18174571 0.87 NPC1 (0.44) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL21022955 0.86 NPC1 (0.49) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL21742630 0.83 MAPK14 (0.48) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL10032909 0.80 KDM4E (0.46) NPC1KDM4EPDK2PKMRAB9A
SCHEMBL4769511 0.79 CHEK2 (0.46) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL7662434 0.79 KDM4E (0.56) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL18174583 0.79 BTK (0.38) RETRIPK1RIPK3NPC1KDM4E
SCHEMBL18174575 0.79 DHODH (0.40) RETRIPK1RIPK3NPC1KDM4E

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 RET 4395/4885RIPK1 4226/4885RIPK3 3587/4885

“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.