SCHEMBL6469208

SCHEMBL6469208

COc1cc2nc(Nc3nc(OC(=O)C(F)(F)F)c4cc(OCCn5cnnc5)ccc4n3)nc(C)c2cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.35
KDM4E B2RXH2 6/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 8/20 0.34
AURKA O14965 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
PSMD14 O00487 1/20 0.34
APAF1 O14727 1/20 0.34
MITF O75030 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL6469099 0.92 AURKA (0.36) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6467467 0.89 TDP2 (0.38) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6466266 0.89 RAF1 (0.39) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6469154 0.89 KDR (0.40) RAF1
SCHEMBL6470212 0.88 TDP2 (0.37) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6465520 0.88 NPSR1 (0.38) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6469215 0.88 KDR (0.41)
SCHEMBL6467496 0.88 AVPR1B (0.41) KDM4EALDH1A1AURKARAF1
Trifluoroacetic Acid SCHEMBL6469205 0.88 KDM4E (0.36) TDP2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6470132 0.87 PDK1 (0.39) AURKARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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 (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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB TDP2 424/4885KDM4E 3225/4885MEN1 4218/4885

“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.