SCHEMBL21145874

SCHEMBL21145874

PPc1nc2ccc3cc(Br)ccc3c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37
TYMS P04818 3/20 0.35
PIM3 Q86V86 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ERN1 O75460 1/20 0.33
PTGES O14684 2/20 0.32
CYP2A6 P11509 1/20 0.32
PLAU P00749 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
HTT P42858 2/20 0.30
CHEK1 O14757 1/20 0.30
PIM1 P11309 1/20 0.30
AKT1 P31749 1/20 0.30
FLT3 P36888 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL16440333 0.76 ERN1 (0.41) BACE1TYMSPIM3ALDH1A1ERN1
SCHEMBL17973095 0.76 TYMS (0.54) BACE1TYMSPIM3ALDH1A1ERN1
SCHEMBL15042999 0.73 LMNA (0.42) BACE1TYMSPIM3ALDH1A1ERN1
SCHEMBL29959587 0.72 PTGES (0.51) ALDH1A1PTGESRAB9AMMP2MMP9
SCHEMBL26693457 0.72 PTGES (0.51) ALDH1A1PTGESRAB9AMMP2MMP9
SCHEMBL12294884 0.69 LMNA (0.36) BACE1TYMSPIM3ALDH1A1PTGES
SCHEMBL13560994 0.69 LMNA (0.36) BACE1TYMSPIM3ALDH1A1PTGES
SCHEMBL12294840 0.69 LMNA (0.36) BACE1TYMSPIM3ALDH1A1PTGES
SCHEMBL14758479 0.66 CDC7 (0.48) BACE1PIM1CYP1A2
SCHEMBL56836 0.65 CYP2A6 (0.57) BACE1ALDH1A1ERN1CYP2A6PLAU

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-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 BACE1 3126/4885TYMS 118/4885PIM3 1165/4885

“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.