SCHEMBL6407146

SCHEMBL6407146

Clc1cccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.69
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
NPC1 O15118 1/20 0.64
TACR1 P25103 1/20 0.63
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
METAP2 P50579 2/20 0.58
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TERT O14746 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
SCHEMBL6410759 0.88 CYP3A4 (0.83) PTK2CYP3A4CYP2C9HDAC1HDAC2
SCHEMBL6408014 0.87 CYP3A4 (0.71) PTK2CYP3A4CYP2C9HDAC1HDAC2
SCHEMBL6408279 0.81 CYP3A4 (0.80) PTK2CYP3A4CYP2C9HDAC1HDAC2
SCHEMBL6402486 0.81 CYP3A4 (0.72) PTK2CYP3A4CYP2C9HDAC1HDAC2
SCHEMBL6405467 0.80 PTK2 (0.64) PTK2CYP3A4CYP2C9TACR1HDAC1
SCHEMBL6404838 0.80 CYP3A4 (0.78) PTK2CYP3A4CYP2C9HDAC1HDAC2
SCHEMBL16486434 0.80 CYP3A4 (0.57) PTK2CYP3A4CYP2C9NPC1HDAC1
SCHEMBL6406121 0.78 SMN1; SMN2 (0.65) PTK2CYP3A4NPC1METAP2HTT
SCHEMBL6403463 0.77 CYP3A4 (0.73) PTK2CYP3A4CYP2C9NPC1HDAC1
SCHEMBL18292389 0.76 ALDH1A1 (0.69) CYP3A4CYP2C9TACR1HTTLMNA

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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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 (2 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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D PTK2 471/4885CYP3A4 3226/4885CYP2C9 4039/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT PTK2 4627/4885CYP3A4 25/4885CYP2C9 128/4885

“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.