SCHEMBL20249129

SCHEMBL20249129

CC(C)(C)c1ccc(C2CCS(=O)(=O)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRNA7 P36544 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 7/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
CNR2 P34972 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
CNR1 P21554 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL15604151 0.85 KDM4E (0.39) KMT2ASMN1; SMN2CHRNA7LMNAKDM4E
SCHEMBL22388847 0.82 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2CHRNA7LMNAKDM4E
SCHEMBL19625291 0.80 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2CHRNA7LMNAKDM4E
SCHEMBL17998801 0.79 QDPR (0.45) TP53
SCHEMBL13141209 0.79 ESR2 (0.46) KMT2ASMN1; SMN2CHRNA7KDM4EGLA
SCHEMBL20037437 0.79 SLC6A9 (0.43) KMT2ASMN1; SMN2KDM4EGLAHTT
SCHEMBL20249133 0.78 FAAH (0.36) KMT2ASMN1; SMN2CHRNA7KDM4EGLA
SCHEMBL20249182 0.78 ESR2 (0.46) KMT2ASMN1; SMN2CHRNA7KDM4EGLA
SCHEMBL11916023 0.78 HTR2C (0.45)
SCHEMBL17998800 0.76 SSTR4 (0.33) CHRNA7CDK6

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 KMT2A 670/4885SMN1; SMN2 1690/4885CHRNA7 4757/4885

“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.