SCHEMBL20153229

SCHEMBL20153229

CCSC(C)N1CC2CC(C1)N2C(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PARP10 Q53GL7 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RET P07949 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL20154583 0.84 MAPT (0.43) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL20148732 0.84 KMT2A (0.47) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL22030865 0.80 KMT2A (0.49) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL22030863 0.77 ALDH1A1 (0.46) KMT2AALDH1A1HTTTSHRRET
SCHEMBL20152354 0.77 KMT2A (0.45) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL20071116 0.76 ALDH1A1 (0.47) KMT2APARP10ALDH1A1HTTLMNA
SCHEMBL20071117 0.75 KMT2A (0.49) KMT2APARP10MAPTALDH1A1TP53
SCHEMBL21159005 0.72 SMYD3 (0.39) RET
SCHEMBL22030862 0.70 ALDH1A1 (0.49) KMT2AALDH1A1HTTLMNATSHR
SCHEMBL22812035 0.70 ALDH1A1 (0.46) KMT2AALDH1A1HTTLMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KMT2A 1171/4885PARP10 1943/4885MAPT 1769/4885

“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.