SCHEMBL16558017

SCHEMBL16558017

CC(C)(C)c1ncnc2cc(O)c(CO)cc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.37
CYP1A2 P05177 2/20 0.33
EGFR P00533 2/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRB2 P07550 2/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
HIF1A Q16665 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL14090741 0.83 EGFR (0.38) CYP1A2EGFRKDM4EALDH1A1HPGD
SCHEMBL14850177 0.81 EGFR (0.40) EGFRKDM4EHPGD
SCHEMBL25670587 0.79 KDR (0.36) CYP1A2EGFRKDM4EALDH1A1HPGD
SCHEMBL16558018 0.76 KLF10 (0.35) KLF10EGFRTSHR
SCHEMBL25670583 0.76 KDR (0.36) CYP1A2EGFRKDM4EALDH1A1HPGD
SCHEMBL14090728 0.75 EGFR (0.49) EGFR
SCHEMBL20712854 0.73 IRAK4 (0.39) EGFR
SCHEMBL24067377 0.72 EGFR (0.49) EGFR
SCHEMBL1706562 0.72 LMNA (0.51) EGFR
SCHEMBL26238009 0.71 EGFR (0.35) EGFR

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-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 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-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KLF10 4517/4885CYP1A2 3817/4885EGFR 59/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KLF10 4517/4885CYP1A2 3817/4885EGFR 59/4885

“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.