SCHEMBL20158869

SCHEMBL20158869

COCC1(Cc2ccccc2)CCN(S)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 3/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
GAA P10253 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RET P07949 1/20 0.38
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL16838111 0.86 MEN1 (0.43) MEN1KMT2ALMNAFPR2PROKR1
SCHEMBL20147375 0.82 MEN1 (0.52) MEN1KMT2ALMNAFPR2PROKR1
SCHEMBL17465635 0.82 OPRM1 (0.47) MEN1KMT2AMAOAMAOBLMNA
SCHEMBL19157213 0.78 TACR1 (0.45) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL20148005 0.73 MAOA (0.70) MAOAMAOBALDH1A1OPRM1OPRL1
SCHEMBL20147920 0.72 POLB (0.44) MEN1KMT2AMAOAMAOBLMNA
SCHEMBL20158622 0.72 OPRM1 (0.43) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL20205978 0.71 OPRL1 (0.61) MAOAMAOBOPRM1OPRL1
SCHEMBL31389328 0.71 MC4R (0.50) MEN1KMT2AMAOAMAOBLMNA
SCHEMBL10708925 0.70 MAOA (0.48) MEN1KMT2AMAOAMAOBLMNA

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 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-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 (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 MEN1 653/4885KMT2A 1112/4885MAOA 3683/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 MEN1 653/4885KMT2A 1112/4885MAOA 3683/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MEN1 653/4885KMT2A 1112/4885MAOA 3683/4885

“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.