SCHEMBL20148110

SCHEMBL20148110

O=C(NC1(Cc2ccccn2)CCNCC1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL20070064 0.82 RET (0.51) SMN1; SMN2ALDH1A1L3MBTL1TSHRNPC1
SCHEMBL28675550 0.82 RET (0.51) SMN1; SMN2ALDH1A1L3MBTL1TSHRNPC1
SCHEMBL20069291 0.81 MEN1 (0.42) SMN1; SMN2MAPK1ALDH1A1RAB9AL3MBTL1
SCHEMBL20070610 0.78 RET (0.44) SMN1; SMN2ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL20070066 0.77 RET (0.47) ALDH1A1L3MBTL1TSHRNPC1MEN1
Trifluoroacetic Acid SCHEMBL20137739 0.77 RET (0.47) SMN1; SMN2ALDH1A1HSD11B1
Trifluoroacetic Acid SCHEMBL29971002 0.77 RET (0.47) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL28664232 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL20148111 0.75 RET (0.47) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL20070612 0.74 HRH3 (0.42) CYP3A4SMN1; SMN2MAPK1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 US disclosed
US-20180133207-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 (3 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP3A4 3760/4885SMN1; SMN2 646/4885MAPK1 65/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CYP3A4 3760/4885SMN1; SMN2 646/4885MAPK1 65/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP3A4 3760/4885SMN1; SMN2 646/4885MAPK1 65/4885

“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.