SCHEMBL20158595

SCHEMBL20158595

CC1(C(=O)NCC2CCCOC2)CCN(S)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
MAPK1 P28482 1/20 0.38
NAMPT P43490 6/20 0.37
GABRA5 P31644 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 1/20 0.31
METTL3 Q86U44 1/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR3 P51677 1/20 0.30

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
SCHEMBL20069154 0.89 RET (0.41) RETMAPK1NAMPTGABRA5TSHR
SCHEMBL22857092 0.86 RET (0.40) RETMAPK1NAMPTGABRA5ALDH1A1
SCHEMBL21651972 0.85 RET (0.40) RETMAPK1NAMPTGABRA5SMN1; SMN2
SCHEMBL20148017 0.82 SMN1; SMN2 (0.43) RETTSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20069680 0.72 RET (0.38) RETMAPK1NAMPTALDH1A1SMN1; SMN2
SCHEMBL15492739 0.72 NAMPT (0.43) MAPK1NAMPTGABRA5SMN1; SMN2HPGD
SCHEMBL19198339 0.71 EPHX1 (0.44) TSHRALDH1A1SMN1; SMN2CYP3A4HPGD
SCHEMBL18377462 0.70 CYP3A4 (0.42) MAPK1TSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9185 0.69 HPGD (0.42) MAPK1NAMPTSMN1; SMN2HPGD
SCHEMBL19652062 0.69 NAMPT (0.41) MAPK1NAMPTGABRA5SMN1; SMN2HPGD

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-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 (2 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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885MAPK1 65/4885NAMPT 3045/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885MAPK1 65/4885NAMPT 3045/4885

“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.