SCHEMBL990194

SCHEMBL990194

CC(C)(C)Cn1c(N)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
POLB P06746 1/20 0.63
CXCR4 P61073 1/20 0.62
TLR8 Q9NR97 3/20 0.59
NOD1 Q9Y239 3/20 0.54
TNF P01375 2/20 0.54
NOD2 Q9HC29 2/20 0.54
CXCL8 P10145 2/20 0.54
SOS1 Q07889 1/20 0.54
NOS2 P35228 1/20 0.50
F2R P25116 1/20 0.50
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL14891383 0.87 HTT (0.63) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL21311239 0.84 HTT (0.59) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL979423 0.83 HTT (0.62) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL1707586 0.83 HTT (0.62) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL1979530 0.82 HTT (0.56) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL13111951 0.81 TNF (0.60) HTTTNFTP53
SCHEMBL1992429 0.80 CYP1A2 (1.00) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL6199065 0.80 CXCR4 (0.85) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL13071435 0.79 MEN1 (0.47) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL1537674 0.79 SMN1; SMN2 (0.55) HTTCYP1A2CYP2D6POLBNOD1

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 HTT 4547/4885CYP1A2 3740/4885CYP2D6 2928/4885

“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.