SCHEMBL12371789

SCHEMBL12371789

CC1CCCCN1CCCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.49
SLC2A1 P11166 2/20 0.46
FGFR1 P11362 1/20 0.46
HTR3A P46098 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
THRB P10828 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL12371758 0.81 CACNA1G (0.44) CACNA1GHTR3AALDH1A1GAATSHR
SCHEMBL12371660 0.80 PRKCQ (0.46) FGFR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL12371720 0.80 TLR7 (0.43) FGFR1ALDH1A1MAPTMAPK1
SCHEMBL12371727 0.79 PRKCQ (0.49) FGFR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL12371781 0.79 HTR3A (0.40) CACNA1GHTR3AKMT2AMEN1ALDH1A1
SCHEMBL12371706 0.78 ALDH1A1 (0.42) ALDH1A1GAATSHRHSD17B10THRB
SCHEMBL12371797 0.78 ALDH1A1 (0.43) HTR3AKMT2AMEN1ALDH1A1TSHR
SCHEMBL12371731 0.78 USP1 (0.44) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL12371766 0.77 ADORA2A (0.50) FGFR1ALDH1A1GAATSHRHSD17B10
SCHEMBL12371726 0.76 USP1 (0.44) ALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 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-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ CACNA1G 2083/4885SLC2A1 4790/4885FGFR1 4175/4885

“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.