SCHEMBL3566306

SCHEMBL3566306

O=C(CO)N1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
AKR1C3 P42330 1/20 0.40
KIT P10721 1/20 0.39
MAPK7 Q13164 8/20 0.38
PRKDC P78527 2/20 0.38
KHK P50053 1/20 0.38
ALK Q9UM73 3/20 0.37
ACVR1 Q04771 1/20 0.37
SYK P43405 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
SCHEMBL3573839 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MAPK7SYK
SCHEMBL4966092 0.89 KHK (0.41) KITMAPK7PRKDCKHKACVR1
SCHEMBL3562983 0.88 MAPK7 (0.40) SMN1; SMN2KITMAPK7KHK
SCHEMBL3566238 0.88 ACVR1 (0.45) SMN1; SMN2MAPK7PRKDCKHKALK
SCHEMBL3564719 0.86 SSTR1 (0.42) SMN1; SMN2KHK
SCHEMBL3570248 0.85 MTNR1B (0.48) KITMAPK7KHKALK
SCHEMBL3570349 0.85 MAPK7 (0.39) KITMAPK7PRKDCKHKACVR1
SCHEMBL5604298 0.83 PRKDC (0.42) KITPRKDCKHK
SCHEMBL3571785 0.83 HTT (0.43) SMN1; SMN2KITPRKDC
SCHEMBL27711997 0.83 MAPK7 (0.36) KITMAPK7PRKDC

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 SMN1; SMN2 2684/4885AKR1C3 1537/4885KIT 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.