SCHEMBL10313639

SCHEMBL10313639

[C-]#[N+]c1ccc(-n2ncc3c(=O)[nH]c(-c4ccc(F)cc4F)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CREBBP Q92793 1/20 0.45
EGFR P00533 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10275396 0.84 PDE5A (0.48) PDE5ATSHRHTTKDM4ECREBBP
SCHEMBL10313633 0.78 XDH (0.42) PDE5AMEN1KMT2A
SCHEMBL10313642 0.77 CYP17A1 (0.38) TSHRHTTKDM4EEGFRALDH1A1
SCHEMBL10313638 0.76 TSHR (0.54) PDE5ATSHRHTTALDH1A1HPGD
SCHEMBL6103701 0.70 ALDH1A1 (0.78) PDE5ATSHRHTTKDM4ECREBBP
SCHEMBL10313637 0.67 CSNK2A2 (0.47) PDE5ATSHRKDM4EALDH1A1HPGD
SCHEMBL25341255 0.65 LMNA (0.58) TSHRHTTKDM4ECREBBPALDH1A1
SCHEMBL1753160 0.65 TP53 (0.62) TSHRHTTKDM4EALDH1A1HPGD
SCHEMBL25343005 0.63 PDE9A (0.44) PDE5ATSHRHTTKDM4ECREBBP
SCHEMBL25343768 0.63 PDE9A (0.46) PDE5ATSHRHTTKDM4ECREBBP

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 PDE5A 2719/4885TSHR 1051/4885HTT 4483/4885

“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.