SCHEMBL12670710

SCHEMBL12670710

CN(CC1CC2C=CC1C2)CC1CC2C=CC1C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.30
PKM P14618 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
SCHEMBL13346420 0.86 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL18117855 0.86 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL109229 0.77 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11732587 0.77 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL109060 0.76
SCHEMBL4445948 0.75 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL1012047 0.75 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL12838241 0.75 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11066677 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL107841 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173882-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-08-06 US disclosed
US-9079898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-20130109695-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-8349838-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 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 (3 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-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885ALDH1A1 4540/4885MEN1 2269/4885
US-20130109695-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885ALDH1A1 4540/4885MEN1 2269/4885
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885ALDH1A1 4540/4885MEN1 2269/4885

“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.