SCHEMBL19251255

SCHEMBL19251255

Cc1cnc(N2CC[C@@H](N(C)C)C2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
PTPN11 Q06124 1/20 0.45
HRH4 Q9H3N8 4/20 0.42
HDAC6 Q9UBN7 1/20 0.40
MAP4K4 O95819 1/20 0.40
SMO Q99835 1/20 0.39
HCRTR2 O43614 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
BTK Q06187 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL15509175 0.78 DYRK1A (0.45) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL16991350 0.78 DYRK1A (0.45) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL28219641 0.77 MAP4K4 (0.47) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL1927645 0.75 HDAC6 (0.49) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL27379604 0.74 HRH4 (0.38) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL13806026 0.74 DYRK1A (0.55) DYRK1AHRH4MAP4K4HRH3MAPK8
SCHEMBL13806029 0.74 DYRK1A (0.55) DYRK1AHRH4MAP4K4HRH3MAPK8
SCHEMBL17262265 0.74 PTPN11 (0.45) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL19205970 0.74 PTPN11 (0.45) DYRK1APTPN11HRH4HDAC6MAP4K4
SCHEMBL5562201 0.74 POLB (0.51) SMOHCRTR2

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-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 DYRK1A 2598/4885PTPN11 3909/4885HRH4 2969/4885

“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.