SCHEMBL754656

SCHEMBL754656

CSc1cc(-n2ncc(C(=O)O)c2N)nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK14 Q16539 2/20 0.36
SPR P35270 1/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
RIPK2 O43353 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL753745 0.84 TSHR (0.59) NPC1TSHRMAPTKDM4EMEN1
SCHEMBL27681340 0.76 TSHR (0.47) NPC1TSHRMAPTKDM4EMEN1
SCHEMBL11026681 0.75 ALDH1A1 (0.34) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL751727 0.70 POLB (0.38) POLB
SCHEMBL28943666 0.69 NPC1 (0.49) NPC1TSHRMAPTPTPN1HPGD
SCHEMBL3429710 0.69 RIPK2 (0.50) TSHRPTPN1HPGDALDH1A1MAPK14
SCHEMBL752958 0.68 SMN1; SMN2 (0.47) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL751945 0.66 KMT2A (0.38) NPC1MAPTKDM4EMEN1KMT2A
SCHEMBL31547878 0.66 PTPN1 (0.51) TSHRMAPTKDM4EPTPN1HPGD
SCHEMBL27700542 0.65 NPC1 (0.44) NPC1TSHRMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD NPC1 732/4885TSHR 3459/4885MAPT 3169/4885

“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.