SCHEMBL5444652

SCHEMBL5444652

Cc1cn2c(Cl)c(-c3ccccc3)c(C)c(C#N)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.49
CCND3 P30281 4/20 0.49
HTT P42858 3/20 0.47
ADRA2A P08913 2/20 0.47
ADORA2A P29274 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.45
GRM5 P41594 1/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MDM2 Q00987 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL5445233 0.85 HTT (0.43) CDK4CCND3HTTADRA2AADORA2A
SCHEMBL5447297 0.85 HTT (0.43) CDK4CCND3HTTADRA2AADORA2A
SCHEMBL5444079 0.79 ADORA2A (0.44) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL6310360 0.77 MAPT (0.67) HTTLMNAKDM4EALDH1A1HPGD
SCHEMBL5441224 0.76 LMNA (0.48) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL5450251 0.75 LMNA (0.47) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL6316793 0.74 LMNA (0.48) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL6319570 0.74 MAPT (0.46) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL5453328 0.73 HSP90AA1 (0.47) HTTADRA2AADORA2AHSD17B10LMNA
SCHEMBL5440146 0.73 LMNA (0.44) HTTADRA2AADORA2AHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 CDK4 2554/4885CCND3 3674/4885HTT 3088/4885

“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.