SCHEMBL10145798

SCHEMBL10145798

O=S1(=O)CCN(Cc2cnc(N3CCCc4ccccc43)nc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 7/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 9/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
USP2 O75604 5/20 0.40
TSHR P16473 5/20 0.40
TP53 P04637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12796731 0.86 TSHR (0.44) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL12796050 0.81 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL12796052 0.81 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL10145276 0.74 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL12796000 0.71 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL12796228 0.69 NR1H2 (0.43) KMT2AALDH1A1LMNAMAPTMAPK1
SCHEMBL10146157 0.67 NR1H2 (0.42) KMT2AALDH1A1LMNAMAPTMAPK1
SCHEMBL541701 0.63 KMT2A (0.40) KMT2AALDH1A1LMNATSHRL3MBTL1
SCHEMBL5245431 0.63 ROCK1 (0.63) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL12796505 0.63 TSHR (0.48) KMT2AALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KMT2A 1194/4885ALDH1A1 3897/4885LMNA 4300/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KMT2A 1697/4885ALDH1A1 4050/4885LMNA 4294/4885

“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.