SCHEMBL2030993

SCHEMBL2030993

c1ccc(C2NCC3CNCC32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
BPTF Q12830 1/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SSTR4 P31391 1/20 0.34
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL27988904 0.81 TACR1 (0.35) KDM1AHTR2AHTR2CHTR2BCHRNB2
SCHEMBL12371293 0.79 GBA1 (0.57) GBA1KDM1AMAOASLC18A3SIGMAR1
SCHEMBL28524489 0.76 GBA1 (0.46) GBA1KDM1ASLC18A3SIGMAR1MEN1
SCHEMBL31374602 0.76 GBA1 (0.46) GBA1KDM1ASLC18A3SIGMAR1MEN1
SCHEMBL4425525 0.74 HTR2C (0.34) HTR2AHTR2CHTR2BKCNH2
SCHEMBL27878041 0.73 CHRNA7 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5699973 0.71 MAOA (0.49) BPTFKDM1AMAOAHTR2AHTR2C
SCHEMBL2329363 0.71 MAOA (0.49) BPTFKDM1AMAOAHTR2AHTR2C
SCHEMBL6925312 0.70 BPTF (0.43) BPTFKDM1AMAOASLC18A3SIGMAR1
SCHEMBL7076302 0.70 CYP11B2 (0.44) BPTFKDM1AMAOASLC18A3SIGMAR1

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-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
US-20120316155-A1 Imidazole-2,4-Dione Inhibitors of Casein Kinase 1 Jasco Pharmaceuticals, LLC (US) 2012-12-13 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 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 (3 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-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 GBA1 4741/4885BPTF 2308/4885KDM1A 1208/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 GBA1 4735/4885BPTF 2279/4885KDM1A 1229/4885
US-20120316155-A1 Imidazole-2,4-Dione Inhibitors of Casein Kinase 1 CSNK1G1, CSNK1A1, CSNK1G3 GBA1 4410/4885BPTF 2432/4885KDM1A 825/4885

“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.