SCHEMBL20154569

SCHEMBL20154569

Cc1cc(CN2CCN(SS)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
PHGDH O43175 7/20 0.36
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22811852 0.85 NCF1 (0.40) NCF1TSHRHTTPHGDHPOLB
SCHEMBL21158867 0.81 NCF1 (0.42) NCF1TSHRHTTPHGDHPOLB
SCHEMBL20071134 0.79 MC4R (0.53) NCF1ALDH1A1LMNAKDM4EMAPT
SCHEMBL1666563 0.79 ALDH1A1 (0.56) NCF1TSHRHTTPHGDHPOLB
SCHEMBL20148587 0.75 KDM4E (0.47) NCF1TSHRHTTALDH1A1KDM4E
SCHEMBL20154570 0.73 CXCR4 (0.45) ALDH1A1LMNAKDM4EMAPTNPSR1
SCHEMBL22811853 0.71 KDM4E (0.43) NCF1TSHRHTTPHGDHPOLB
SCHEMBL20970932 0.70 SIGMAR1 (0.61) POLBALDH1A1KDM4EMAPT
SCHEMBL21733141 0.68 RET (0.36) HTTALDH1A1LMNAKDM4E
SCHEMBL20328138 0.68 KMT2A (0.41) TSHRHTTPOLBALDH1A1LMNA

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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF NCF1 1654/4885TSHR 1461/4885HTT 3519/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NCF1 1654/4885TSHR 1461/4885HTT 3519/4885

“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.