SCHEMBL3928301

SCHEMBL3928301

Nc1c(Oc2cccc(F)c2)ncnc1Oc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.55
MAP4K4 O95819 1/20 0.52
F10 P00742 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TRPA1 O75762 3/20 0.42
FLT3 P36888 1/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL21611408 0.92 MRGPRX1 (0.52) MRGPRX1MAP4K4F10MAPTALDH1A1
SCHEMBL6584777 0.81 MRGPRX1 (0.53) MRGPRX1MAP4K4F10MAPTALDH1A1
SCHEMBL252692 0.79 TRPA1 (0.58) MRGPRX1MAP4K4ALDH1A1TRPA1EGFR
Hydrochloric Acid SCHEMBL21611617 0.77 ALK (0.40) MRGPRX1MAP4K4F10MAPTALDH1A1
SCHEMBL21611480 0.77 SMN1; SMN2 (0.56) MAP4K4MAPTALDH1A1KDM4EFLT3
SCHEMBL6289347 0.75 ALDH1A1 (0.54) F10MAPTALDH1A1KMT2AMEN1
SCHEMBL6290496 0.75 ALDH1A1 (0.54) F10MAPTALDH1A1KMT2AMEN1
SCHEMBL21611491 0.75 EPAS1 (0.43) MRGPRX1MAPTALDH1A1TRPA1LMNA
SCHEMBL2455031 0.74 RET (0.63)
SCHEMBL7938427 0.74 MAPT (0.46) MAP4K4MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides NOVARTIS AG (CH) 2009-08-06 US disclosed
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides FRUCHTEL JORG 2007-07-05 US disclosed
EP-1725539-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES Novartis AG (CH) 2006-11-29 EP disclosed
WO-2005085211-A1 USE OF PYRIMIDINE COMPOUNDS IN THE PREPARATION OF PARASITICIDES NOVARTIS AG (CH) 2005-09-15 WO disclosed
EP-1574502-A1 Use of pyrimidine compounds in the preparation of parasiticides Novartis AG (CH) 2005-09-14 EP 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-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides TYMP, TYMS, P2RX1 MRGPRX1 272/4885MAP4K4 4519/4885F10 211/4885
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides TYMP, TYMS, P2RX1 MRGPRX1 272/4885MAP4K4 4519/4885F10 211/4885

“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.