SCHEMBL18712880

SCHEMBL18712880

CCCC(C)N1CCN(CCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ CHRM2 P08172 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PSIP1 O75475 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
SCHEMBL18705122 0.85 KMT2A (0.61) KMT2AMEN1CHRM2CHRM1ALDH1A1
SCHEMBL18390001 0.78 MEN1 (0.69) KMT2AMEN1TSHRALDH1A1MAPK1
SCHEMBL24732017 0.77 KMT2A (0.58) KMT2AMEN1TSHRALDH1A1MAPK1
SCHEMBL14476103 0.75 MEN1 (0.73) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL13604236 0.74 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL27698520 0.73 MEN1 (0.69) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL14375268 0.72 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL6245041 0.71 KMT2A (0.67) KMT2AMEN1CHRM2CHRM1ALDH1A1
SCHEMBL26361877 0.70 PSIP1 (0.53) KMT2AALDH1A1MAPTHTTPOLB
SCHEMBL27679499 0.70 ALDH1A1 (0.60) KMT2ATSHRCHRM2CHRM1ALDH1A1

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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KMT2A 1448/4885MEN1 1015/4885KDM4E 695/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF KMT2A 1448/4885MEN1 1015/4885KDM4E 695/4885

“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.

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