SCHEMBL20205894

SCHEMBL20205894

Cc1cc(C)nc(C(=O)NC2(C)CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
SMYD3 Q9H7B4 4/20 0.36
CTSA P10619 2/20 0.36
MGLL Q99685 2/20 0.35
ALOX15 P16050 1/20 0.35
CBLB Q13191 1/20 0.34
ACKR3 P25106 2/20 0.34
PRKCB P05771 1/20 0.34
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
CNR2 P34972 1/20 0.33
ADAM17 P78536 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL22857024 0.86 RET (0.42) RETSMYD3CTSAMGLLACKR3
SCHEMBL20147628 0.86 RET (0.40) RETSMYD3CTSAMGLLCBLB
SCHEMBL20068970 0.81 P2RX7 (0.50) RETCTSAPRKCBCNR2
SCHEMBL20068965 0.80 RET (0.44) RETSMYD3CTSA
SCHEMBL20069632 0.77 GABRA1 (0.41) RETSMYD3ADORA2ACNR2
SCHEMBL20068969 0.76 RET (0.43) RETMAPT
SCHEMBL20069105 0.76 IRAK4 (0.43) RETSMYD3MGLL
SCHEMBL20070356 0.75 RET (0.42) RETADORA2ACNR2ADAM17
SCHEMBL20070353 0.73 RET (0.42) RETCTSALMNAMAPTMCHR1
SCHEMBL20068981 0.73 RET (0.42) RETSMYD3PRKCBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (1 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 RET 1/4885SMYD3 1177/4885CTSA 4544/4885

“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.