SCHEMBL10133641

SCHEMBL10133641

CCOCCNC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
FOXM1 Q08050 2/20 0.42
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RAD52 P43351 1/20 0.35

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
SCHEMBL16281580 0.98 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12846703 0.96 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10198728 0.91
SCHEMBL16949673 0.86 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL24437848 0.83 CYP1A2 (0.57) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2668499 0.83 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21842364 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21842124 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21842123 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL22759948 0.82 CYP1A2 (0.56) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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-8097630-B2 Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme RIGEL PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 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-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4278/4885ALDH1A1 4120/4885CYP1A2 4027/4885

“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.