SCHEMBL3570253

SCHEMBL3570253

O=C1CCCN1CCOc1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PDK2 Q15119 3/20 0.40
CHEK1 O14757 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39
MAPK7 Q13164 1/20 0.38
KIT P10721 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
TNK2 Q07912 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3575362 0.88 KDM4E (0.42) POLBPDK2CCNT1CDK9MAPK7
SCHEMBL4964976 0.86 POLB (0.49) POLBPDK2MAPK7KITTNK2
SCHEMBL13034746 0.85 POLB (0.44) POLBPDK2EGLN2CCNCCDK8
SCHEMBL3568580 0.85 CHEK1 (0.44) PDK2CHEK1MAPK7AURKAAURKB
SCHEMBL3564760 0.83 HRH3 (0.51) CHEK1AURKAAURKB
SCHEMBL4962784 0.81 MAPK7 (0.45) POLBPDK2MAPK7KDM4EALDH1A1
SCHEMBL3572790 0.81 BRD4 (0.41) CHEK1MAPK7AURKAAURKB
SCHEMBL3567462 0.81 TLR9 (0.51) CHEK1AURKAAURKB
SCHEMBL3564511 0.80 HRH3 (0.52) CHEK1AURKAAURKB
SCHEMBL3570576 0.80 AURKA (0.44) CHEK1MAPK7MEN1KMT2AKDM4E

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-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-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-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
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
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 POLB 3499/4885PDK2 1151/4885CHEK1 419/4885

“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.