SCHEMBL13034751

SCHEMBL13034751

CN1CCN(CCOc2ccc3c(C4CCNCC4)ccnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
MET P08581 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BMP4 P12644 1/20 0.41
GRM4 Q14833 3/20 0.40
MAPK7 Q13164 1/20 0.40
PRKDC P78527 1/20 0.40
MAOA P21397 1/20 0.40
DRD3 P35462 1/20 0.40
LTA4H P09960 1/20 0.40
CCR4 P51679 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL13034748 0.95 MET (0.47) TGFBR1SIGMAR1METHRH3DRD3
SCHEMBL3570576 0.83 AURKA (0.44) TGFBR1SIGMAR1HRH3MEN1KMT2A
SCHEMBL13034745 0.80 MCHR1 (0.42) TGFBR1HRH3MAPK7
SCHEMBL13034746 0.80 POLB (0.44) HRH3MEN1KMT2AMAPK7
SCHEMBL3571883 0.78 AURKA (0.49) SIGMAR1HRH3DRD3
SCHEMBL25131312 0.78 KDM4E (0.56) TGFBR1SIGMAR1METHRH3MEN1
SCHEMBL31103176 0.78 TGFBR1 (0.51) TGFBR1SIGMAR1METHRH3MEN1
SCHEMBL27006819 0.78 TGFBR1 (0.51) TGFBR1SIGMAR1METHRH3MEN1
SCHEMBL30499299 0.78 KDM4E (0.56) TGFBR1SIGMAR1METHRH3MEN1
SCHEMBL3561359 0.75 AURKA (0.49) TGFBR1SIGMAR1HRH3DRD3

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-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 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-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT TGFBR1 3674/4885SIGMAR1 2536/4885MET 422/4885

“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.