SCHEMBL17455035

SCHEMBL17455035

CC(C)(C)c1c(CN2CCOCC2)nc2n1CCN(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
ALOX15 P16050 2/20 0.36
HRH3 Q9Y5N1 7/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32
HTT P42858 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
SCHEMBL28767868 0.62 POLB (0.37) CNR2ALOX15HRH3HTT
SCHEMBL31065977 0.61 TSHR (0.38) TSHRHTT
SCHEMBL15882625 0.61 SMN1; SMN2 (0.45) ALOX15HRH3
SCHEMBL4374019 0.60 TSHR (0.37) TSHRHTT
SCHEMBL572678 0.60 PDK2 (0.46)
SCHEMBL22304750 0.60 KCNH2 (0.36) CNR2ALOX15HRH3
SCHEMBL9123485 0.59 HRH3 (0.42) ALOX15HRH3TSHRHSD17B10HTT
SCHEMBL3185991 0.58 SIGMAR1 (0.38) CNR2ALOX15HRH3HSD17B10HTT
SCHEMBL31346843 0.58 NR1H2 (0.44)
SCHEMBL5376068 0.57 SMN1; SMN2 (0.59) HRH3HTT

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-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 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-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO CNR2 1305/4885ALOX15 2996/4885HRH3 320/4885

“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.