SCHEMBL4007559

SCHEMBL4007559

Nc1[nH]c(-c2ccc(Oc3ccc(F)cc3)cc2)nc(=O)c1Cc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CHEK2 O96017 5/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SCN9A Q15858 1/20 0.36
PNP P00491 1/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
MAOA P21397 1/20 0.35
SMOX Q9NWM0 1/20 0.35
XDH P47989 1/20 0.34

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
SCHEMBL4007561 0.85 SMN1; SMN2 (0.44) SMN1; SMN2CHEK2TP53MAPTTHRB
SCHEMBL4008260 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPNPXDH
SCHEMBL4008262 0.68 MAPT (0.55) SMN1; SMN2MAPTTNKSTNKS2PARP2
SCHEMBL4007504 0.66 CHEK2 (0.51) CHEK2TNKSTNKS2PARP2SCN9A
SCHEMBL4007508 0.66 CHEK2 (0.51) CHEK2TNKSTNKS2PARP2SCN9A
SCHEMBL17644772 0.64 MAOB (0.46) TP53MAPT
SCHEMBL3367497 0.63 KDM4E (0.82) SMN1; SMN2CHEK2TP53MAPTTNKS
SCHEMBL2089904 0.62 KDM4E (0.53) SMN1; SMN2TP53MAPTTHRB
Hydrochloric Acid SCHEMBL27607292 0.61 ALDH1A1 (0.51) SMN1; SMN2TP53MAPTTHRB
SCHEMBL2818111 0.61 MAPK14 (0.60) SMN1; SMN2TNKSTNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483247-B1 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2009-06-24 EP claimed
US-7229993-B2 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-06-12 US claimed
EP-1483247-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2004-12-08 EP claimed
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. 2003-12-25 US claimed
WO-2003076414-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO-CELTIQUE S.A. (US) 2003-09-18 WO claimed
EP-1483247-B1 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2009-06-24 EP disclosed
US-7229993-B2 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-06-12 US disclosed
EP-1483247-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2004-12-08 EP disclosed
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. 2003-12-25 US disclosed
WO-2003076414-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO-CELTIQUE S.A. (US) 2003-09-18 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-20030236273-A1 Aryl substituted pyrimidines and the use thereof CACNA1S, CACNA1C, NCS1 SMN1; SMN2 21/4885CHEK2 4073/4885TP53 2996/4885

“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.