SCHEMBL274464

SCHEMBL274464

O=C(Nc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1)c1cnc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
KDM4E B2RXH2 2/20 0.41
GRM4 Q14833 2/20 0.41
MAPT P10636 3/20 0.41
FAAH O00519 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 3/20 0.40
BRAF P15056 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
SLC34A2 O95436 1/20 0.39
SLC34A1 Q06495 1/20 0.39
SLC34A3 Q8N130 1/20 0.39
SLC20A1 Q8WUM9 1/20 0.39
KCNJ11 Q14654 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL268921 1.00 AURKA (0.44) AURKARPS6KB1KDM4EGRM4MAPT
SCHEMBL273519 0.88 GRM4 (0.54) KDM4EGRM4MAPTNPC1KMT2A
SCHEMBL267332 0.88 GRM4 (0.54) KDM4EGRM4MAPTNPC1KMT2A
SCHEMBL274846 0.84 SLC34A2 (0.53) KDM4EMAPTFAAHNPC1KMT2A
SCHEMBL268292 0.84 NPC1 (0.53) KDM4EMAPTFAAHNPC1KMT2A
SCHEMBL274849 0.84 NPC1 (0.53) KDM4EMAPTFAAHNPC1KMT2A
SCHEMBL266630 0.84 SLC34A2 (0.53) KDM4EMAPTFAAHNPC1KMT2A
SCHEMBL274056 0.81 KMT2A (0.52) KDM4EMAPTNPC1KMT2ABRAF
SCHEMBL266870 0.81 KMT2A (0.52) KDM4EMAPTNPC1KMT2ABRAF
SCHEMBL266871 0.81 KMT2A (0.52) KDM4EMAPTNPC1KMT2ABRAF

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 AURKA 3228/4885RPS6KB1 1694/4885KDM4E 4535/4885

“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.