SCHEMBL3566148

SCHEMBL3566148

CS(=O)(=O)CCNc1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
KIT P10721 2/20 0.36
TDO2 P48775 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPK7 Q13164 4/20 0.35
HTR6 P50406 2/20 0.35
EGFR P00533 3/20 0.35
ERBB2 P04626 2/20 0.35
SLC2A1 P11166 1/20 0.34
SUV39H1 O43463 1/20 0.34
PRMT1 Q99873 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PIK3CA P42336 1/20 0.33
KHK P50053 1/20 0.32

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
SCHEMBL4966599 0.83 MAPK7 (0.46) MAPK7
SCHEMBL28774859 0.78 SYK (0.40) MAPK7SUV39H1PRMT1SMYD3
SCHEMBL3570475 0.78 EGFR (0.44) ALDH1A1MAPK7EGFR
SCHEMBL12049301 0.75 FLT3 (0.42) USP2ALDH1A1MAPK7
SCHEMBL21332116 0.72 MAPK7 (0.47) CCNT1CDK9KITMAPK7HTR6
SCHEMBL3571699 0.70 HTR6 (0.38) ALDH1A1HTR6
SCHEMBL3570966 0.70 NPC1 (0.47) CCNT1CDK9KITALDH1A1CYP1A2
SCHEMBL21332328 0.70 HSP90AB1 (0.41) KITMAPK7EGFR
SCHEMBL5604689 0.69 CYP1A2 (0.42) KITUSP2ALDH1A1CYP1A2CLK4
SCHEMBL3570195 0.69 MAPK7 (0.53) CYP1A2MAPK7HTR6EGFR

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 9 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
CN-101243065-A Intermediates for the synthesis of alkylquinoline and alkylquinazoline kinase modulators and related synthetic methods JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1891040-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP 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
WO-2006135646-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO 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 CCNT1 386/4885CDK9 192/4885KIT 3/4885

“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.