SCHEMBL990252

SCHEMBL990252

Cc1nc2ccc(-c3c(-c4ccccc4)ncn3C3CCCCC3)cc2n1CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.45
MAPK14 Q16539 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CSNK1D P48730 2/20 0.38
MAPK13 O15264 1/20 0.38
EGFR P00533 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
APAF1 O14727 1/20 0.38
TNIK Q9UKE5 1/20 0.37
TSHR P16473 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL991427 0.90 MAPK14 (0.50) SPHK1MAPK14SMN1; SMN2ALDH1A1CSNK1D
SCHEMBL990284 0.84 MAPK14 (0.47) MAPK14ALDH1A1LMNAHTTCSNK1D
SCHEMBL4837575 0.76 MAPK14 (0.72) MAPK14CSNK1DEGFRCYP3A4ERBB2
SCHEMBL990285 0.76 KDM4E (0.41) MAPK14ALDH1A1CSNK1DMAPK13EGFR
SCHEMBL4837487 0.74 MAPK14 (0.41) MAPK14CSNK1DMAPK13EGFRCSNK1E
SCHEMBL5772806 0.72 MAPK14 (0.76) MAPK14CSNK1DEGFRCYP3A4ERBB2
SCHEMBL989412 0.72 MAPK14 (0.41) MAPK14ALDH1A1CSNK1DMAPK13EGFR
SCHEMBL990654 0.71 MAPK14 (0.55) MAPK14SMN1; SMN2ALDH1A1HTTCSNK1D
SCHEMBL4838938 0.71 MAPK14 (0.41) MAPK14CSNK1DMAPK13EGFRCSNK1E
SCHEMBL4834028 0.71 PIK3CA (0.52) MAPK14SMN1; SMN2ALDH1A1LMNACSNK1D

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 SPHK1 869/4885MAPK14 341/4885SMN1; SMN2 3611/4885

“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.