SCHEMBL3348744

SCHEMBL3348744

Cc1ccc(-c2nnc(C)n2C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
RAB9A P51151 3/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3346950 0.78 TSHR (0.47) TSHRRAB9AHSD17B10LMNAALDH1A1
SCHEMBL14804396 0.78 ALDH1A1 (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL17056037 0.77 ALDH1A1 (0.58) TSHRHSD17B10ALDH1A1TDP1MAPT
SCHEMBL3344533 0.76 TSHR (0.42) TSHRRAB9AHSD17B10LMNAALDH1A1
SCHEMBL7830458 0.75 HSD11B1 (0.36) TSHRLMNAALDH1A1TDP1MAPT
SCHEMBL15026023 0.74 HSD11B1 (0.36) RAB9AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3348708 0.74 SMN1; SMN2 (0.50) TSHRRAB9AHSD17B10LMNAALDH1A1
SCHEMBL17049292 0.73 MAPT (0.61) TSHRHSD17B10ALDH1A1TDP1MAPT
SCHEMBL6866139 0.73 CYP3A4 (0.62) TSHRRAB9AHSD17B10LMNAALDH1A1
SCHEMBL31661348 0.73 CYP3A4 (0.62) TSHRRAB9AHSD17B10LMNAALDH1A1

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-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TSHR 1051/4885RAB9A 1850/4885HSD17B10 4607/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 TSHR 462/4885RAB9A 1568/4885HSD17B10 4340/4885

“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.