SCHEMBL21158864

SCHEMBL21158864

CCN1CCN(Cc2ccnc(C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
CXCR4 P61073 1/20 0.41
WNT3A P56704 1/20 0.40
HTR6 P50406 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8038019 0.87 MC4R (0.51) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL4553879 0.86 CXCR4 (0.50) ALDH1A1TDP1SMN1; SMN2CXCR4
SCHEMBL20148586 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL5253497 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL2236376 0.82 NOS3 (0.56) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL2236371 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL12241723 0.82 HRH3 (0.50) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL12767073 0.81 ACKR3 (0.41) ALDH1A1KDM4EMAPTGAA
SCHEMBL15214329 0.81 ACHE (0.54) ALDH1A1
SCHEMBL4757117 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1KMT2AMEN1

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ALDH1A1 2868/4885KDM4E 889/4885TDP1 1003/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2868/4885KDM4E 889/4885TDP1 1003/4885

“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.