SCHEMBL24926780

SCHEMBL24926780

CCC(C)c1nccnc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 4/20 0.41
TSHR P16473 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTT P42858 3/20 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
SCHEMBL24926681 0.82 KDM4E (0.48) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL19039496 0.80 TSHR (0.46) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL21823188 0.79 KDM4E (0.45) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL29659878 0.79 KDM4E (0.45) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL29776053 0.79 KDM4E (0.45) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL26422176 0.79 NPC1 (0.31) CYP1A2NPC1TSHRRAB9ACYP2D6
SCHEMBL25064238 0.76 TRPV3 (0.34) MAPT
SCHEMBL176039 0.73 KDM4E (0.68) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL31278917 0.73 SLC2A1 (0.42) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL21823114 0.73 SLC2A1 (0.42) KDM4ELMNACYP1A2CCR1CCR5

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-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 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-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT KDM4E 2574/4885LMNA 3940/4885CYP1A2 40/4885

“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.