SCHEMBL4719642

SCHEMBL4719642

C#Cc1cccc(NC(=O)Oc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ RAD51 Q06609 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ FAAH O00519 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL30136750 0.85 CYP1A2 (0.61) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL24755632 0.85 CYP1A2 (0.61) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL13023058 0.85 KMT2A (0.45) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL8048626 0.84 CYP1A2 (0.76) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL13023508 0.84 HDAC3 (0.51) CYP1A2KMT2AMAPTHTTPOLB
SCHEMBL13023331 0.83 HDAC3 (0.50) CYP1A2KMT2AALDH1A1MAPTGAA
SCHEMBL1766071 0.81 EGFR (0.72) ALDH1A1MAPT
SCHEMBL13132587 0.81 CYP1A2 (0.49) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL13132750 0.81 CYP1A2 (0.49) CYP1A2KMT2AALDH1A1MAPTKDM4E
SCHEMBL13132663 0.80 IDH1 (0.49) CYP1A2KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 — — EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 — — US disclosed
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 — — US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 — — EP disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 — — US disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 — — WO disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 — — EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 — — 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 CYP1A2 2464/4885KMT2A 3058/4885ALDH1A1 2840/4885
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 CYP1A2 2420/4885KMT2A 162/4885ALDH1A1 1331/4885

“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.

Send feedback