SCHEMBL5029423

SCHEMBL5029423

CCC(Nc1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC2A1 P11166 1/20 0.48
FABP4 P15090 1/20 0.47

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
SCHEMBL734621 0.86 CYP3A4 (0.53) KDM4EMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11195208 0.81 HTT (0.45) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3143472 0.81 SHBG (0.42) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31362160 0.80 TSHR (0.56) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL734962 0.80 TSHR (0.56) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9231410 0.80 TSHR (0.56) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1531481 0.79 MAPK1 (0.56) KDM4EMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4626199 0.79 TSHR (0.55) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4626208 0.79 TSHR (0.55) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1531484 0.79 MAPK1 (0.56) KDM4EMEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC TSHR 2960/4885KDM4E 1848/4885MEN1 1888/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB TSHR 3868/4885KDM4E 1468/4885MEN1 2422/4885

“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.