SCHEMBL13780249

SCHEMBL13780249

Cc1cnn2c(NCc3ccc(Cl)cc3Cl)cc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 5/20 0.46
P2RX7 Q99572 2/20 0.44
PDE9A O76083 3/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 1/20 0.41
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL12143379 0.85 CDK7 (0.46) KCNN3PDE9A
SCHEMBL4201923 0.77 KCNN3 (0.75) KCNN3DPP4
SCHEMBL13778077 0.76 MAPK1 (0.47) KCNN3KMT2AALDH1A1NPSR1HSD17B10
SCHEMBL5458441 0.75 KCNN3 (0.48) KCNN3KMT2AALDH1A1HSD17B10MEN1
SCHEMBL23772369 0.73 CDK2 (0.46) KCNN3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL13778079 0.72 CCNA2 (0.50) KMT2AALDH1A1HSD17B10LMNATSHR
SCHEMBL12048517 0.72 CDK2 (0.59) KCNN3KMT2AMEN1NPC1RAB9A
SCHEMBL13650606 0.70 ALDH1A1 (0.44) KMT2AALDH1A1NPSR1HSD17B10MEN1
SCHEMBL12143382 0.69 CDK7 (0.55) KCNN3
SCHEMBL22899498 0.67 RAB9A (0.51) KMT2AALDH1A1MEN1LMNAKDM4E

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 KCNN3 1892/4885P2RX7 812/4885PDE9A 3231/4885

“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.