SCHEMBL7124054

SCHEMBL7124054

Cc1nc(Nc2nc(Cl)cc(N3CCC(N(C)C)CC3)n2)sc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.55
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
IKBKB O14920 1/20 0.39
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK11A Q9UQ88 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CRHR1 P34998 1/20 0.35

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
SCHEMBL2681006 0.86 PDE5A (0.57) PDE5AALDH1A1HPGDIKBKBKIT
SCHEMBL299952 0.85 PDE5A (0.56) PDE5AALDH1A1HPGDIKBKBKIT
SCHEMBL291345 0.83 PDE5A (0.62) PDE5AALDH1A1HPGDIKBKBKIT
SCHEMBL20559620 0.81 PDE5A (0.76) PDE5AALDH1A1HPGDIKBKBLMNA
SCHEMBL291289 0.79 PDE5A (0.48) PDE5AALDH1A1KITFLT3DHODH
SCHEMBL291323 0.78 PDE5A (0.56) PDE5AALDH1A1KITFLT3LMNA
SCHEMBL290507 0.77 PDE5A (0.67) PDE5AALDH1A1KITFLT3
SCHEMBL27950966 0.77 PDE5A (0.69) PDE5AALDH1A1HPGDIKBKBLMNA
SCHEMBL26647638 0.77 PDE5A (0.57) PDE5AALDH1A1HPGDLMNATSHR
SCHEMBL27950945 0.77 PDE5A (0.57) PDE5AALDH1A1HPGDIKBKBFLT3

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-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 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-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 PDE4A, PDE4B, PDE7B PDE5A 15/4885ALDH1A1 1814/4885HPGD 2653/4885

“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.